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Sodium dichromate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Sodium dichromate
IUPAC Name: disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
Molecular Formula: Na2Cr2O7
SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+]
Inchi: 1S/2Cr.2Na.7O/q;;2*+1;;;;;;2*-1
Inchi Key: KIEOKOFEPABQKJ-UHFFFAOYSA-N
Cas No: 10588-01-9

Functional Group

Drug Likeness

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

Cross References

PubChem: 25408
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 261.97
Mass (g/mol) 261.825
Molar Refractivity 5.20
Net Charge
HBD 4
HBA 5
Rt Bonds 2
Rings
TPSA 123.63
Hetero Atoms
Heavy Atoms 11
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 1.00
LogP
iLOGP 1.14
XLOGP3 -2.09
WLOGP -2.19
MLOGP -1.94
ESOL Log S 0.46
ESOL Solubility (mg/ml) 472
ESOL Solubility (mol/l) 2.88
ESOL Class: esol_class Highly soluble
Ali Log S 0.72
Ali Solubility (mg/ml) 870
Ali Solubility (mol/l) 5.3
Ali Class Highly soluble
Silicos-IT LogSw 2.06
Silicos-IT Solubility (mg/ml) 19100
Silicos-IT Solubility (mol/l) 116
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -8.79
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.472
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 5.129
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