Benzohydrazide

Introduction

CAS No. :	613-94-5	MDL No. :	MFCD00007596
Formula :	C7H8N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WARCRYXKINZHGQ-UHFFFAOYSA-N
M.W :	136.15	Pubchem ID :	11955
Synonyms :		Chemical Name :	Benzohydrazide

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	37.34
TPSA :	55.12 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.52
Log Po/w (XLOGP3) :	0.19
Log Po/w (WLOGP) :	0.29
Log Po/w (MLOGP) :	1.13
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	0.47

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.12
Solubility :	10.4 mg/ml ; 0.0766 mol/l
Class :	Very soluble
Log S (Ali) :	-0.91
Solubility :	16.9 mg/ml ; 0.124 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.01
Solubility :	1.34 mg/ml ; 0.00984 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P201-P202-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P308+P313-P330-P332+P313-P362+P364-P403+P233-P501	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335-H351	Packing Group:	N/A
GHS Pictogram:

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