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Lithium chloride

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Lithium chloride
IUPAC Name: lithium;chloride
Molecular Formula: LiCl
SMILES: [Li+].[Cl-]
Inchi: 1S/ClH.Li/h1H;/q;+1/p-1
Inchi Key: KWGKDLIKAYFUFQ-UHFFFAOYSA-M
Cas No: 7447-41-8

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 433294
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 42.39
Mass (g/mol) 41.985
Molar Refractivity 5.85
Net Charge
HBD 2
HBA 4
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms
Heavy Atoms 2
Aromatic Heavy Atoms 0
Melting Point (°C) 610
Boiling Point (°C@760.00mm Hg) 1383
Vapor Pressure (mmHg@25.00 °C) 1
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP 0.00
XLOGP3 -0.36
WLOGP -0.54
MLOGP -0.54
ESOL Log S -1.56
ESOL Solubility (mg/ml) 9.51
ESOL Solubility (mol/l) 0.028
ESOL Class: esol_class Very soluble
Ali Log S -0.74
Ali Solubility (mg/ml) 62.4
Ali Solubility (mol/l) 0.18
Ali Class Very soluble
Silicos-IT LogSw 0.83
Silicos-IT Solubility (mg/ml) 2320
Silicos-IT Solubility (mol/l) 6.71
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -8.67
Bioavailability Score 0.85
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.21
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity -0.51
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0