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Cobalt citrate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Cobalt citrate
IUPAC Name: cobalt(3+);2-hydroxypropane-1,2,3-tricarboxylate
Molecular Formula: C6H5CoO7
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Co+3]
Inchi: 1S/C6H8O7.Co/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3
Inchi Key: SCNCIXKLOBXDQB-UHFFFAOYSA-K
Cas No: _

Functional Group

Drug Likeness

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

Cross References

PubChem: 10131133
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 248.03
Mass (g/mol) 247.937
Molar Refractivity 31.64
Net Charge
HBD 1
HBA 7
Rt Bonds 5
Rings
TPSA 140.62
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 0.50
LogP
iLOGP 0.00
XLOGP3 -1.72
WLOGP -5.25
MLOGP -1.48
ESOL Log S 0.04
ESOL Solubility (mg/ml) 269
ESOL Solubility (mol/l) 1.09
ESOL Class: esol_class Highly soluble
Ali Log S -0.72
Ali Solubility (mg/ml) 47.3
Ali Solubility (mol/l) 0.19
Ali Class Very soluble
Silicos-IT LogSw 1.71
Silicos-IT Solubility (mg/ml) 12800
Silicos-IT Solubility (mol/l) 51.5
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.03
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.281
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.229
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