Cyclopropanecarbohydrazide

Introduction

CAS No. :	6952-93-8	MDL No. :	MFCD00045392
Formula :	C4H8N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	JFYKIEHOOZWARC-UHFFFAOYSA-N
M.W :	100.12	Pubchem ID :	81396
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	24.94
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) :	-7.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.91
Log Po/w (XLOGP3) :	-0.75
Log Po/w (WLOGP) :	-0.68
Log Po/w (MLOGP) :	-0.38
Log Po/w (SILICOS-IT) :	-0.51
Consensus Log Po/w :	-0.28

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.14
Solubility :	139.0 mg/ml ; 1.39 mol/l
Class :	Highly soluble
Log S (Ali) :	0.07
Solubility :	118.0 mg/ml ; 1.17 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.04
Solubility :	90.9 mg/ml ; 0.908 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.04

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P264-P270-P301+P310-P321-P330-P405-P501	UN#:	2811
Hazard Statements:	H301	Packing Group:	Ⅲ
GHS Pictogram:

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