Lithium formate hydrate

Introduction

CAS No. :	6108-23-2	MDL No. :	MFCD00150507
Formula :	CH3LiO3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	RDAKCPVJSPEDON-UHFFFAOYSA-M
M.W :	69.97	Pubchem ID :	23702287
Synonyms :

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	10.19
TPSA :	49.36 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) :	-7.2 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-5.2
Log Po/w (XLOGP3) :	-0.67
Log Po/w (WLOGP) :	-1.7
Log Po/w (MLOGP) :	-2.01
Log Po/w (SILICOS-IT) :	-0.23
Consensus Log Po/w :	-1.96

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.15
Solubility :	98.4 mg/ml ; 1.41 mol/l
Class :	Highly soluble
Log S (Ali) :	0.11
Solubility :	89.6 mg/ml ; 1.28 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.97
Solubility :	658.0 mg/ml ; 9.4 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.19

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

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