Phenazine-1-carboxamide

Introduction

CAS No. :	550-89-0	MDL No. :	MFCD01708506
Formula :	C13H9N3O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KPZYYKDXZKFBQU-UHFFFAOYSA-N
M.W :	223.23	Pubchem ID :	120282
Synonyms :		Chemical Name :	Phenazine-1-carboxamide

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	65.14
TPSA :	68.87 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.35
Log Po/w (XLOGP3) :	1.51
Log Po/w (WLOGP) :	1.88
Log Po/w (MLOGP) :	1.54
Log Po/w (SILICOS-IT) :	2.07
Consensus Log Po/w :	1.67

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.72
Solubility :	0.427 mg/ml ; 0.00191 mol/l
Class :	Soluble
Log S (Ali) :	-2.56
Solubility :	0.609 mg/ml ; 0.00273 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.6
Solubility :	0.00559 mg/ml ; 0.0000251 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.6

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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