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Zinc potassium chromate

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 potassium chromate
IUPAC Name: potassium;dizinc;dioxido(dioxo)chromium;hydroxide
Molecular Formula: Cr2HKO9Zn2
SMILES: [OH-].[O-][Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[K+].[Zn+2].[Zn+2]
Inchi: 1S/2Cr.K.H2O.8O.2Zn/h;;;1H2;;;;;;;;;;/q;;+1;;;;;;4*-1;2*+2/p-1
Inchi Key: GQKCRUJOPUHISR-UHFFFAOYSA-M
Cas No: 37224-57-0

Functional Group

Drug Likeness

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

Cross References

PubChem: 25466
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 418.85
Mass (g/mol) 415.665
Molar Refractivity 7.43
Net Charge
HBD 2
HBA 3
Rt Bonds 0
Rings
TPSA 183.58
Hetero Atoms
Heavy Atoms 14
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.11
LogP
iLOGP 0.81
XLOGP3 1.17
WLOGP 1.55
MLOGP 0.88
ESOL Log S -2.04
ESOL Solubility (mg/ml) 1.74
ESOL Solubility (mol/l) 0.009
ESOL Class: esol_class Soluble
Ali Log S -2.17
Ali Solubility (mg/ml) 1.29
Ali Solubility (mol/l) 0.01
Ali Class Soluble
Silicos-IT LogSw -3.04
Silicos-IT Solubility (mg/ml) 0.17
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.64
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.729
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.718
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