Magnesium nitrate hexahydrate
| Common Name: |
Magnesium nitrate hexahydrate |
| IUPAC Name: |
magnesium;dinitrate;hexahydrate |
| Molecular Formula: |
H12MgN2O12 |
| SMILES: |
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Mg+2] |
| Inchi: |
1S/Mg.2NO3.6H2O/c;2*2-1(3)4;;;;;;/h;;;6*1H2/q+2;2*-1;;;;;; |
| Inchi Key: |
MFUVDXOKPBAHMC-UHFFFAOYSA-N |
| Cas No: |
13446-18-9 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
4 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
1 |
| Name |
Value |
| Molecular Weight (g/mol) |
256.41 |
| Mass (g/mol) |
256.024 |
| Molar Refractivity |
43.34 |
| Net Charge |
|
| HBD |
|
| HBA |
4 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
193.14 |
| Hetero Atoms |
|
| Heavy Atoms |
15 |
| 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 |
0.67 |
| LogP |
|
| iLOGP |
0.65 |
| XLOGP3 |
0.08 |
| WLOGP |
-1.95 |
| MLOGP |
0.25 |
| ESOL Log S |
-0.45 |
| ESOL Solubility (mg/ml) |
50.7 |
| ESOL Solubility (mol/l) |
0.352 |
| ESOL Class: esol_class |
Very soluble |
| Ali Log S |
-1.32 |
| Ali Solubility (mg/ml) |
6.9 |
| Ali Solubility (mol/l) |
0.05 |
| Ali Class |
Very soluble |
| Silicos-IT LogSw |
-0.23 |
| Silicos-IT Solubility (mg/ml) |
85.8 |
| Silicos-IT Solubility (mol/l) |
0.6 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
0 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-7.12 |
| Bioavailability Score |
0.56 |
| Caco2 |
1 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.396 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
3.341 |
| 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 |
