10-Phenyl-10H-phenothiazine

Introduction

CAS No. :	7152-42-3	MDL No. :	MFCD00156238
Formula :	C18H13NS	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	WSEFYHOJDVVORU-UHFFFAOYSA-N
M.W :	275.37	Pubchem ID :	95203
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	88.18
TPSA :	28.54 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-3.92 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.22
Log Po/w (XLOGP3) :	5.72
Log Po/w (WLOGP) :	5.24
Log Po/w (MLOGP) :	5.04
Log Po/w (SILICOS-IT) :	4.18
Consensus Log Po/w :	4.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.75
Solubility :	0.000489 mg/ml ; 0.00000177 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.09
Solubility :	0.000226 mg/ml ; 0.00000082 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.87
Solubility :	0.0000371 mg/ml ; 0.000000135 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.03

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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