9-Decen-1-ol

Introduction

CAS No. :	13019-22-2	MDL No. :	MFCD00002992
Formula :	C10H20O	Boiling Point :	-
Linear Structure Formula :	HO(CH2)8CHCH2	InChI Key :	QGFSQVPRCWJZQK-UHFFFAOYSA-N
M.W :	156.27	Pubchem ID :	25612
Synonyms :	ω-Decen-1-ol

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	8
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	50.87
TPSA :	20.23 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) :	-4.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.88
Log Po/w (XLOGP3) :	3.57
Log Po/w (WLOGP) :	2.9
Log Po/w (MLOGP) :	2.7
Log Po/w (SILICOS-IT) :	3.01
Consensus Log Po/w :	3.01

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.53
Solubility :	0.461 mg/ml ; 0.00295 mol/l
Class :	Soluble
Log S (Ali) :	-3.68
Solubility :	0.0326 mg/ml ; 0.000209 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.98
Solubility :	0.166 mg/ml ; 0.00106 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	1.85

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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