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Zinc chloride

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Zinc chloride
IUPAC Name: dichlorozinc
Molecular Formula: ZN2Cl
SMILES: Cl[Zn]Cl
Inchi: 1S/2ClH.Zn/h2*1H;/q;;+2/p-2
Inchi Key: JIAARYAFYJHUJI-UHFFFAOYSA-L
Cas No: 7646-85-7

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 5727
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 136.29
Mass (g/mol) 133.867
Molar Refractivity 11.71
Net Charge
HBD 1
HBA 2
Rt Bonds 0
Rings
TPSA 0.00
Hetero Atoms
Heavy Atoms 3
Aromatic Heavy Atoms 0
Melting Point (°C) 290
Boiling Point (°C@760.00mm Hg) 732
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.67
LogP
iLOGP 1.19
XLOGP3 -0.15
WLOGP 0.10
MLOGP -0.44
ESOL Log S -0.17
ESOL Solubility (mg/ml) 60.8
ESOL Solubility (mol/l) 0.683
ESOL Class: esol_class Very soluble
Ali Log S -0.49
Ali Solubility (mg/ml) 28.5
Ali Solubility (mol/l) 0.32
Ali Class Very soluble
Silicos-IT LogSw 0.10
Silicos-IT Solubility (mg/ml) 111
Silicos-IT Solubility (mol/l) 1.25
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -6.95
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.235
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.056
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