OlfactionBase: A repository of Odors, Odorants, Olfactory Receptors and related information
  1. Home
  2. Odorants

Magnesium sulfate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Magnesium sulfate
IUPAC Name: magnesium;sulfate
Molecular Formula: MgSO4
SMILES: [O-]S(=O)(=O)[O-].[Mg+2]
Inchi: 1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
Inchi Key: SNNHWWHGAXBCP-UHFFFAOYSA-L
Cas No: 7487-88-9

Functional Group

Drug Likeness

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

Cross References

PubChem: 24083
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 120.37
Mass (g/mol) 119.937
Molar Refractivity 10.52
Net Charge
HBD 6
HBA 8
Rt Bonds 0
Rings
TPSA 88.64
Hetero Atoms
Heavy Atoms 6
Aromatic Heavy Atoms 0
Melting Point (°C) 1124 (decomposition)
Boiling Point (°C@760.00mm Hg) 330
Vapor Pressure (mmHg@25.00 °C) 0.000034
Vapor Density (Air =1)
Fraction Csp3 0.44
LogP -0.91
iLOGP 1.17
XLOGP3 -2.55
WLOGP -0.58
MLOGP -1.59
ESOL Log S -0.57
ESOL Solubility (mg/ml) 109
ESOL Solubility (mol/l) 0.27
ESOL Class: esol_class Very soluble
Ali Log S -0.39
Ali Solubility (mg/ml) 166
Ali Solubility (mol/l) 0.41
Ali Class Very soluble
Silicos-IT LogSw -2.21
Silicos-IT Solubility (mg/ml) 2.48
Silicos-IT Solubility (mol/l) 0.01
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -10.57
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.734
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.806
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