6-Amino-1H-indazol-3-ol

Introduction

CAS No. :	59673-74-4	MDL No. :	MFCD07781650
Formula :	C7H7N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	RVEOZWSYDIHKIB-UHFFFAOYSA-N
M.W :	149.15	Pubchem ID :	108801
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	3.0
Molar Refractivity :	42.52
TPSA :	74.93 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.35
Log Po/w (XLOGP3) :	0.85
Log Po/w (WLOGP) :	0.86
Log Po/w (MLOGP) :	0.6
Log Po/w (SILICOS-IT) :	0.83
Consensus Log Po/w :	0.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.91
Solubility :	1.85 mg/ml ; 0.0124 mol/l
Class :	Very soluble
Log S (Ali) :	-2.01
Solubility :	1.47 mg/ml ; 0.00985 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.96
Solubility :	1.65 mg/ml ; 0.011 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.79

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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