3-Phenyl-9H-carbazole

Introduction

CAS No. :	103012-26-6	MDL No. :	MFCD22052094
Formula :	C18H13N	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	IAWRFMPNMXEJCK-UHFFFAOYSA-N
M.W :	243.30	Pubchem ID :	13497473
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 :	1.0
Molar Refractivity :	81.24
TPSA :	15.79 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.47
Log Po/w (XLOGP3) :	5.01
Log Po/w (WLOGP) :	4.99
Log Po/w (MLOGP) :	4.13
Log Po/w (SILICOS-IT) :	5.14
Consensus Log Po/w :	4.35

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.18
Solubility :	0.00161 mg/ml ; 0.00000663 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.08
Solubility :	0.00202 mg/ml ; 0.00000829 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.48
Solubility :	0.00000802 mg/ml ; 0.000000033 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.68

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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