Di-μ-chloro-tetracarbonyldirhodium(I)

Introduction

CAS No. :	14523-22-9	MDL No. :	MFCD00135610
Formula :	C4O4Cl2Rh2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DJDMLEXKWQIKCT-UHFFFAOYSA-N
M.W :	388.76	Pubchem ID :	45072191
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	4.0
Molar Refractivity :	35.0
TPSA :	80.92 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.46 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.74
Log Po/w (WLOGP) :	-6.69
Log Po/w (MLOGP) :	-1.96
Log Po/w (SILICOS-IT) :	-3.87
Consensus Log Po/w :	-2.16

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.37
Solubility :	0.167 mg/ml ; 0.000425 mol/l
Class :	Soluble
Log S (Ali) :	-3.06
Solubility :	0.345 mg/ml ; 0.000879 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.15
Solubility :	2.77 mg/ml ; 0.00706 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.96

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P231-P235-P222-P305+P351+P338-P422-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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