[1,1'-Binaphthalen]-2-ol

Introduction

CAS No. :	73572-12-0	MDL No. :	MFCD06661230
Formula :	C20H14O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DVWQNBIUTWDZMW-UHFFFAOYSA-N
M.W :	270.33	Pubchem ID :	2755260
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	20
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	88.91
TPSA :	20.23 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.03
Log Po/w (XLOGP3) :	5.69
Log Po/w (WLOGP) :	5.37
Log Po/w (MLOGP) :	4.68
Log Po/w (SILICOS-IT) :	5.11
Consensus Log Po/w :	4.77

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.74
Solubility :	0.000493 mg/ml ; 0.00000182 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.88
Solubility :	0.000356 mg/ml ; 0.00000132 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.69
Solubility :	0.00000551 mg/ml ; 0.0000000204 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.73

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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