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Chromium(III) acetate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Chromium(III) acetate
IUPAC Name: chromium(3+);triacetate
Molecular Formula: C6H9CrO6
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3]
Inchi: 1S/3C2H4O2.Cr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
Inchi Key: WYYQVWLEPYFFLP-UHFFFAOYSA-K
Cas No: 1066-30-4

Functional Group

Drug Likeness

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

Cross References

PubChem: 14012
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 229.13
Mass (g/mol) 228.98
Molar Refractivity 34.67
Net Charge
HBD
HBA 6
Rt Bonds 0
Rings
TPSA 120.39
Hetero Atoms
Heavy Atoms 13
Aromatic Heavy Atoms 0
Melting Point (°C) >400
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP 0.00
XLOGP3 -0.63
WLOGP -3.73
MLOGP -0.68
ESOL Log S -0.86
ESOL Solubility (mg/ml) 31.4
ESOL Solubility (mol/l) 0.137
ESOL Class: esol_class Very soluble
Ali Log S -1.43
Ali Solubility (mg/ml) 8.6
Ali Solubility (mol/l) 0.04
Ali Class Very soluble
Silicos-IT LogSw 0.53
Silicos-IT Solubility (mg/ml) 784
Silicos-IT Solubility (mol/l) 3.42
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -8.14
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.148
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.118
Carcinogenicity (Binary) 0
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