Magnesium hydrogen phosphate
| Common Name: |
Magnesium hydrogen phosphate |
| IUPAC Name: |
magnesium;hydrogen phosphate |
| Molecular Formula: |
HMgO4P |
| SMILES: |
OP(=O)([O-])[O-].[Mg+2] |
| Inchi: |
1S/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2 |
| Inchi Key: |
MHJAJDCZWVHCPF-UHFFFAOYSA-L |
| Cas No: |
7757-86-0 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
0 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
1 |
| Name |
Value |
| Molecular Weight (g/mol) |
120.28 |
| Mass (g/mol) |
119.946 |
| Molar Refractivity |
11.20 |
| Net Charge |
|
| HBD |
1 |
| HBA |
4 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
93.23 |
| Hetero Atoms |
|
| Heavy Atoms |
6 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
|
| Boiling Point (°C@760.00mm Hg) |
158 |
| Vapor Pressure (mmHg@25.00 °C) |
1.41 |
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
0.15 |
| LogP |
|
| iLOGP |
1.79 |
| XLOGP3 |
-2.20 |
| WLOGP |
2.15 |
| MLOGP |
1.73 |
| ESOL Log S |
-0.45 |
| ESOL Solubility (mg/ml) |
98.6 |
| ESOL Solubility (mol/l) |
0.354 |
| ESOL Class: esol_class |
Very soluble |
| Ali Log S |
1.22 |
| Ali Solubility (mg/ml) |
4580 |
| Ali Solubility (mol/l) |
16.4 |
| Ali Class |
Highly soluble |
| Silicos-IT LogSw |
-4.03 |
| Silicos-IT Solubility (mg/ml) |
0.03 |
| Silicos-IT Solubility (mol/l) |
0 |
| Silicos-IT Class |
Moderately soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
1 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-9.56 |
| Bioavailability Score |
0.85 |
| Caco2 |
0 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.776 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
2.664 |
| 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 |
