C42H39N3O8 Nondum assignata

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Physica proprietatibus

Key physica proprietatibus	Valor	Conditio
Pondus	713,78	-
Density (praedicta)	1.315 ± 0.06 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	8,23 ± 0.10	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomeric smiles
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C(=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
INCHI
Inchi = 1s / C42H39N3O8 / C1-50-32-19-15-30 (16-20622) XLII (29-12-4-3-5-13-29,31-17-21-33 (51-2) 22-18-31) 52-26-37-36 (XLVI) 23-38 (53-37) IV) 5-25-35 (XL (XLVIII) 44-41 (XLV) XLIX) XXXIX (XLVII) 43-24-28-11-8-10-27-9-6-7-14-34 (XXVII) XXVIII / H3-22,20H3, (h, 43,47) (H, 44,48,49) / T36-, XXXVII +, XXXVIII + / M0 / S1
Key Inchi
HDUMRQQRYJOBFS, YXWIYCFASA, N

Praedixit possessiones

Proprietatibus praesto

Biological

Proprietatibus praesto

Proiectus

Densitas

Lipinski

Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	(IV) CXX	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(IV) CXX	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(IV) CXX	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(IV) CXX	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(IV) CXX	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(IV) CXX	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XXXVI) CM	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	(XVIII) C	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	MMMCCXC	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	DCCXVIII	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Res	Valor	Conditio	Fons
Koc	(LXX) DC	PH I; Temp: XXV ° C	(I) ACD
Koc	(LXX) DC	PH II; Temp: XXV ° C	(I) ACD
Koc	(LXX) DC	PH III; Temp: XXV ° C	(I) ACD
Koc	(LXX) DC	PH IV; Temp: XXV ° C	(I) ACD
Koc	(LXX) D	PH V; Temp: XXV ° C	(I) ACD
Koc	(LXIX) DCC	Ph VI; Temp: XXV ° C	(I) ACD
Koc	(LXII) CD	PH VII; Temp: XXV ° C	(I) ACD
Koc	(XXX) DC	PH VIII; Temp: XXV ° C	(I) ACD
Koc	(V) DLX	PH IX; Temp: XXV ° C	(I) ACD
Koc	MCCX	PH X; Temp: XXV ° C	(I) ACD
logd	6,38	PH I; Temp: XXV ° C	(I) ACD
logd	6,38	PH II; Temp: XXV ° C	(I) ACD
logd	6,38	PH III; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
logd	6,38	PH IV; Temp: XXV ° C	(I) ACD
logd	6,38	PH V; Temp: XXV ° C	(I) ACD
logd	6,38	Ph VI; Temp: XXV ° C	(I) ACD
logd	6,33	PH VII; Temp: XXV ° C	(I) ACD
logd	6.02	PH VIII; Temp: XXV ° C	(I) ACD
logd	5,28	PH IX; Temp: XXV ° C	(I) ACD
logd	4.62	PH X; Temp: XXV ° C	(I) ACD
logp	6,382 ± 0.644	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	5.1 x 10-7 g / l	Temp: XXV ° C	(I) ACD
Missam solubility	5.1 x 10-7 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	5.1 x 10-7 g / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	5.1 x 10-7 g / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	5.1 x 10-7 g / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	5.1 x 10-7 g / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	5.1 x 10-7 g / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	5.7 x 10-7 g / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	X 10-6 G / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	6.4 x 10-6 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	2.9 x 10-5 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	5.7 x 10-7 g / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	7,1 X 10-10 Mol / l	Temp: XXV ° C	(I) ACD
Molaris solubility	7,1 X 10-10 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	7,1 X 10-10 Mol / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	7,1 X 10-10 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	7,1 X 10-10 Mol / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	7,1 X 10-10 Mol / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	7.2 x 10-10 Mol / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	8.0 X 10-10 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	1.6 x 10-9 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	9.0 x 10-9 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	4.1 x 10-8 Mol / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	8.0 X 10-10 Mol / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Pondus	713,78
PKA	8,23 ± 0.10	Most Acidic Temp: XXV ° C	(I) ACD
PKA	-1.90 ± 0.20	Maxime basic temp: XXV °	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.315 ± 0.06 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	542,7 ± 3.0 cm3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	13		(I) ACD
H acceptors	11		(I) ACD
H donos	3		(I) ACD
H donator / Acceptor Sum	14		(I) ACD
logp	6,382 ± 0.644	Temp: XXV ° C	(I) ACD
Pondus	713,78