2-Hydroxyacetohydrazide

Introduction

CAS No. :	3530-14-1	MDL No. :	MFCD09840691
Formula :	C2H6N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LIUCWHQVLKSECA-UHFFFAOYSA-N
M.W :	90.08	Pubchem ID :	350536
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	3.0
Molar Refractivity :	18.6
TPSA :	75.35 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) :	-8.17 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.33
Log Po/w (XLOGP3) :	-1.86
Log Po/w (WLOGP) :	-2.03
Log Po/w (MLOGP) :	-1.81
Log Po/w (SILICOS-IT) :	-1.54
Consensus Log Po/w :	-1.51

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.91
Solubility :	724.0 mg/ml ; 8.04 mol/l
Class :	Highly soluble
Log S (Ali) :	0.8
Solubility :	564.0 mg/ml ; 6.26 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.75
Solubility :	502.0 mg/ml ; 5.57 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.15

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P210-P240-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P370+P378-P403+P233-P501	UN#:	1325
Hazard Statements:	H228-H302-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine