(2-Fluoro-4-methylphenyl)hydrazine

Introduction

CAS No. :	5596-75-8	MDL No. :	MFCD05662484
Formula :	C7H9FN2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QXPFYIANUNFIQE-UHFFFAOYSA-N
M.W :	140.16	Pubchem ID :	40427372
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	38.57
TPSA :	38.05 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) :	-6.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.6
Log Po/w (XLOGP3) :	1.62
Log Po/w (WLOGP) :	1.65
Log Po/w (MLOGP) :	2.13
Log Po/w (SILICOS-IT) :	1.21
Consensus Log Po/w :	1.64

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.11
Solubility :	1.09 mg/ml ; 0.00781 mol/l
Class :	Soluble
Log S (Ali) :	-2.03
Solubility :	1.3 mg/ml ; 0.0093 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.73
Solubility :	0.262 mg/ml ; 0.00187 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.38

Signal Word:	Danger	Class:	8,6.1
Precautionary Statements:	P261-P280-P301+P310-P305+P351+P338	UN#:	2923
Hazard Statements:	H301-H315-H318-H335	Packing Group:	Ⅲ
GHS Pictogram:

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