776-76-1 Diphenylmethylsilane

Introduction

CAS No. :	776-76-1	MDL No. :	MFCD00008255
Formula :	C13H14Si	Boiling Point :	No data available
Linear Structure Formula :	(C6H5)2SiHCH3	InChI Key :	OKHRRIGNGQFVEE-UHFFFAOYSA-N
M.W :	198.34	Pubchem ID :	6327660
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.08
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	65.17
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.7
Log Po/w (XLOGP3) :	4.2
Log Po/w (WLOGP) :	1.66
Log Po/w (MLOGP) :	4.15
Log Po/w (SILICOS-IT) :	2.52
Consensus Log Po/w :	3.04

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.22
Solubility :	0.012 mg/ml ; 0.0000605 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.91
Solubility :	0.0244 mg/ml ; 0.000123 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.41
Solubility :	0.000773 mg/ml ; 0.0000039 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.1

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

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