Diphenylphosphinic acid

Introduction

CAS No. :	1707-03-5	MDL No. :	MFCD00002132
Formula :	C12H11O2P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	BEQVQKJCLJBTKZ-UHFFFAOYSA-N
M.W :	218.19	Pubchem ID :	15567
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	61.98
TPSA :	47.11 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) :	-5.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.57
Log Po/w (XLOGP3) :	2.59
Log Po/w (WLOGP) :	1.91
Log Po/w (MLOGP) :	2.61
Log Po/w (SILICOS-IT) :	2.05
Consensus Log Po/w :	2.15

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.28
Solubility :	0.113 mg/ml ; 0.000519 mol/l
Class :	Soluble
Log S (Ali) :	-3.23
Solubility :	0.129 mg/ml ; 0.000591 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.36
Solubility :	0.00944 mg/ml ; 0.0000433 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.94

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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