9-Phenyl-9H-fluoren-9-ol

Introduction

CAS No. :	25603-67-2	MDL No. :	MFCD00037121
Formula :	C19H14O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UJPHBDAPVWFPTG-UHFFFAOYSA-N
M.W :	258.31	Pubchem ID :	141227
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.05
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	80.42
TPSA :	20.23 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.79
Log Po/w (XLOGP3) :	3.92
Log Po/w (WLOGP) :	3.84
Log Po/w (MLOGP) :	3.93
Log Po/w (SILICOS-IT) :	4.61
Consensus Log Po/w :	3.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.51
Solubility :	0.00796 mg/ml ; 0.0000308 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.04
Solubility :	0.0234 mg/ml ; 0.0000904 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.12
Solubility :	0.0000196 mg/ml ; 0.0000000759 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.74

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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