Hydrazine-1,2-dicarboxamide

Introduction

CAS No. :	110-21-4	MDL No. :	MFCD00025398
Formula :	C2H6N4O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ULUZGMIUTMRARO-UHFFFAOYSA-N
M.W :	118.09	Pubchem ID :	8039
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	4.0
Molar Refractivity :	23.92
TPSA :	110.24 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) :	-8.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.22
Log Po/w (XLOGP3) :	-2.1
Log Po/w (WLOGP) :	-1.76
Log Po/w (MLOGP) :	-1.53
Log Po/w (SILICOS-IT) :	-2.44
Consensus Log Po/w :	-1.61

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.95
Solubility :	1050.0 mg/ml ; 8.89 mol/l
Class :	Highly soluble
Log S (Ali) :	0.31
Solubility :	243.0 mg/ml ; 2.06 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.89
Solubility :	912.0 mg/ml ; 7.73 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.23

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H317-H319	Packing Group:	N/A
GHS Pictogram:

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