5,10-Dihydrophenazine

Introduction

CAS No. :	613-32-1	MDL No. :	MFCD00550317
Formula :	C12H10N2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IVURTNNWJAPOML-UHFFFAOYSA-N
M.W :	182.22	Pubchem ID :	345330
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	2.0
Molar Refractivity :	58.97
TPSA :	31.58 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.76
Log Po/w (XLOGP3) :	2.99
Log Po/w (WLOGP) :	3.21
Log Po/w (MLOGP) :	2.4
Log Po/w (SILICOS-IT) :	3.45
Consensus Log Po/w :	2.76

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.59
Solubility :	0.0465 mg/ml ; 0.000255 mol/l
Class :	Soluble
Log S (Ali) :	-3.32
Solubility :	0.0878 mg/ml ; 0.000482 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.01
Solubility :	0.00178 mg/ml ; 0.00000977 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.49

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

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