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Magnesium carbonate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Magnesium carbonate
IUPAC Name: magnesium;carbonate
Molecular Formula: MgCO3
SMILES: C(=O)([O-])[O-].[Mg+2]
Inchi: 1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
Inchi Key: ZLNQQNXFFQJAID-UHFFFAOYSA-L
Cas No: 546-93-0

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 11029
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 84.31
Mass (g/mol) 83.97
Molar Refractivity 6.77
Net Charge
HBD
HBA 3
Rt Bonds 0
Rings
TPSA 63.19
Hetero Atoms
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 350
Boiling Point (°C@760.00mm Hg) 333.6
Vapor Pressure (mmHg@25.00 °C) 0.000026
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP
iLOGP 0.00
XLOGP3 -0.13
WLOGP -2.45
MLOGP -1.60
ESOL Log S -0.28
ESOL Solubility (mg/ml) 44.2
ESOL Solubility (mol/l) 0.524
ESOL Class: esol_class Very soluble
Ali Log S -0.74
Ali Solubility (mg/ml) 15.2
Ali Solubility (mol/l) 0.18
Ali Class Very soluble
Silicos-IT LogSw 1.49
Silicos-IT Solubility (mg/ml) 2600
Silicos-IT Solubility (mol/l) 30.8
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -6.91
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.432
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.248
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