Palladium(II) acetate

Introduction

CAS No. :	3375-31-3	MDL No. :	MFCD00012453
Formula :	C4H6O4Pd	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YJVFFLUZDVXJQI-UHFFFAOYSA-L
M.W :	224.51	Pubchem ID :	167845
Synonyms :		Chemical Name :	Palladium(II) acetate

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	23.11
TPSA :	80.26 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 :	No
Log Kp (skin permeation) :	-7.97 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.42
Log Po/w (WLOGP) :	-2.49
Log Po/w (MLOGP) :	-0.54
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-0.79

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.97
Solubility :	24.2 mg/ml ; 0.108 mol/l
Class :	Very soluble
Log S (Ali) :	-0.8
Solubility :	35.5 mg/ml ; 0.158 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.53
Solubility :	768.0 mg/ml ; 3.42 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	9
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P362+P364-P403+P233-P501	UN#:	3077
Hazard Statements:	H302-H315-H318-H335-H410	Packing Group:	Ⅲ
GHS Pictogram:

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