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Magnesium hydroxide

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Magnesium hydroxide
IUPAC Name: magnesium;dihydroxide
Molecular Formula: Mg(OH)2
SMILES: [OH-].[OH-].[Mg+2]
Inchi: 1S/Mg.2H2O/h;2*1H2/q+2;;/p-2
Inchi Key: VTHJTEIRLNZDEV-UHFFFAOYSA-L
Cas No: 1309-42-8

Functional Group

Drug Likeness

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

Cross References

PubChem: 73981
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 58.32
Mass (g/mol) 57.991
Molar Refractivity 3.87
Net Charge
HBD 2
HBA 9
Rt Bonds 0
Rings
TPSA 46.12
Hetero Atoms
Heavy Atoms 3
Aromatic Heavy Atoms 0
Melting Point (°C) 350 (decomp.)
Boiling Point (°C@760.00mm Hg) 100
Vapor Pressure (mmHg@25.00 °C) 24.5
Vapor Density (Air =1)
Fraction Csp3 0.25
LogP
iLOGP 2.38
XLOGP3 1.56
WLOGP 1.44
MLOGP -0.92
ESOL Log S -3.02
ESOL Solubility (mg/ml) 0.368
ESOL Solubility (mol/l) 0.001
ESOL Class: esol_class Soluble
Ali Log S -5.08
Ali Solubility (mg/ml) 0
Ali Solubility (mol/l) 0
Ali Class Moderately soluble
Silicos-IT LogSw -3.57
Silicos-IT Solubility (mg/ml) 0.11
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -7.56
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding -0.08
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 1
Ames mutagenesis 0
Acute Oral Toxicity -0.273
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