3326-71-4 2-Furoic hydrazide

Introduction

CAS No. :	3326-71-4	MDL No. :	MFCD00003235
Formula :	C5H6N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SKTSVWWOAIAIKI-UHFFFAOYSA-N
M.W :	126.11	Pubchem ID :	18731
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	29.6
TPSA :	68.26 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) :	1.15
Log Po/w (XLOGP3) :	-0.52
Log Po/w (WLOGP) :	-0.12
Log Po/w (MLOGP) :	-0.8
Log Po/w (SILICOS-IT) :	-0.33
Consensus Log Po/w :	-0.12

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.57
Solubility :	33.7 mg/ml ; 0.267 mol/l
Class :	Very soluble
Log S (Ali) :	-0.45
Solubility :	45.3 mg/ml ; 0.359 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.21
Solubility :	7.76 mg/ml ; 0.0615 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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