Acethydrazide

Introduction

CAS No. :	1068-57-1	MDL No. :	MFCD00007610
Formula :	C2H6N2O	Boiling Point :	-
Linear Structure Formula :	H2NN(H)C(CH3)O	InChI Key :	OFLXLNCGODUUOT-UHFFFAOYSA-N
M.W :	74.08	Pubchem ID :	14039
Synonyms :

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	17.44
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) :	-7.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.56
Log Po/w (XLOGP3) :	-1.58
Log Po/w (WLOGP) :	-1.0
Log Po/w (MLOGP) :	-0.96
Log Po/w (SILICOS-IT) :	-1.22
Consensus Log Po/w :	-0.84

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.76
Solubility :	428.0 mg/ml ; 5.78 mol/l
Class :	Highly soluble
Log S (Ali) :	0.93
Solubility :	632.0 mg/ml ; 8.53 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.23
Solubility :	124.0 mg/ml ; 1.68 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P201-P202-P264-P270-P280-P301+P310+P330-P302+P352-P305+P351+P338-P308+P313-P332+P313-P337+P313-P405-P501	UN#:	2811
Hazard Statements:	H301-H315-H319-H341-H351	Packing Group:	Ⅲ
GHS Pictogram:

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