2-(4-Fluorophenyl)acetohydrazide

Introduction

CAS No. :	34547-28-9	MDL No. :	MFCD06655053
Formula :	C8H9FN2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PFBNINAURUGQRR-UHFFFAOYSA-N
M.W :	168.17	Pubchem ID :	3771612
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	41.88
TPSA :	55.12 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.26
Log Po/w (XLOGP3) :	0.55
Log Po/w (WLOGP) :	0.78
Log Po/w (MLOGP) :	1.62
Log Po/w (SILICOS-IT) :	0.94
Consensus Log Po/w :	1.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.4
Solubility :	6.68 mg/ml ; 0.0397 mol/l
Class :	Very soluble
Log S (Ali) :	-1.28
Solubility :	8.84 mg/ml ; 0.0525 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.72
Solubility :	0.323 mg/ml ; 0.00192 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.41

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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