Dichloro(benzene)ruthenium(II) dimer

Introduction

CAS No. :	37366-09-9	MDL No. :	MFCD00064686
Formula :	C12H12Cl4Ru2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	YGXMUPKIEHNBNQ-UHFFFAOYSA-J
M.W :	500.18	Pubchem ID :	10962144
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	76.3
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.2 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.26
Log Po/w (WLOGP) :	-8.61
Log Po/w (MLOGP) :	4.92
Log Po/w (SILICOS-IT) :	2.12
Consensus Log Po/w :	1.14

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-8.01
Solubility :	0.00000491 mg/ml ; 0.0000000098 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.08
Solubility :	0.0000411 mg/ml ; 0.0000000822 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-2.27
Solubility :	2.67 mg/ml ; 0.00535 mol/l
Class :	Soluble

Medicinal Chemistry

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

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

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