Manganese(III) acetate dihydrate

Introduction

CAS No. :	19513-05-4	MDL No. :	MFCD00150022
Formula :	C6H13MnO8	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	268.10	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	6
Num. H-bond acceptors :	8.0
Num. H-bond donors :	2.0
Molar Refractivity :	41.96
TPSA :	97.36 Ų

Pharmacokinetics

GI absorption :	High
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) :	-8.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.65
Log Po/w (WLOGP) :	-0.09
Log Po/w (MLOGP) :	-2.27
Log Po/w (SILICOS-IT) :	-1.44
Consensus Log Po/w :	-0.89

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.7
Solubility :	53.9 mg/ml ; 0.201 mol/l
Class :	Very soluble
Log S (Ali) :	-0.92
Solubility :	32.1 mg/ml ; 0.12 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.31
Solubility :	131.0 mg/ml ; 0.49 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.27

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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