Lithium acetate dihydrate

Introduction

CAS No. :	6108-17-4	MDL No. :	MFCD00066949
Formula :	C2H7LiO4	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	IAQLJCYTGRMXMA-UHFFFAOYSA-M
M.W :	102.02	Pubchem ID :	23666338
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	17.65
TPSA :	58.59 Ų

Pharmacokinetics

GI absorption :	High
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) :	-7.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-13.16
Log Po/w (XLOGP3) :	-1.16
Log Po/w (WLOGP) :	-1.37
Log Po/w (MLOGP) :	-2.22
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-3.68

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.26
Solubility :	185.0 mg/ml ; 1.81 mol/l
Class :	Highly soluble
Log S (Ali) :	0.42
Solubility :	270.0 mg/ml ; 2.64 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.53
Solubility :	349.0 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:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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