9-Phenylcarbazole

Introduction

CAS No. :	1150-62-5	MDL No. :	MFCD00004965
Formula :	C18H13N	Boiling Point :	No data available
Linear Structure Formula :	(C6H5)C12H8N	InChI Key :	-
M.W :	243.30	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	19
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	80.78
TPSA :	4.93 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-3.63 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.92
Log Po/w (XLOGP3) :	5.85
Log Po/w (WLOGP) :	4.78
Log Po/w (MLOGP) :	4.4
Log Po/w (SILICOS-IT) :	4.09
Consensus Log Po/w :	4.41

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.71
Solubility :	0.000477 mg/ml ; 0.00000196 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.73
Solubility :	0.000458 mg/ml ; 0.00000188 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.66
Solubility :	0.0000537 mg/ml ; 0.000000221 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.52

Signal Word:	Danger	Class:
Precautionary Statements:	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501	UN#:
Hazard Statements:	H315-H318-H335	Packing Group:
GHS Pictogram:

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