Hydrogen hexachloroplatinate(IV) hexahydrate
| Common Name: |
Hydrogen hexachloroplatinate(IV) hexahydrate |
| IUPAC Name: |
hexachloroplatinum(2-);hydron;hexahydrate |
| Molecular Formula: |
Cl6H14O6Pt |
| SMILES: |
[H+].[H+].O.O.O.O.O.O.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl |
| Inchi: |
1S/6ClH.6H2O.Pt/h6*1H;6*1H2;/q;;;;;;;;;;;;+4/p-4 |
| Inchi Key: |
PIJUVEPNGATXOD-UHFFFAOYSA-J |
| Cas No: |
18497-13-7 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
0 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
1 |
| Name |
Value |
| Molecular Weight (g/mol) |
517.90 |
| Mass (g/mol) |
514.857 |
| Molar Refractivity |
53.40 |
| Net Charge |
|
| HBD |
3 |
| HBA |
6 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
55.38 |
| Hetero Atoms |
|
| Heavy Atoms |
13 |
| 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 |
0.36 |
| LogP |
|
| iLOGP |
1.58 |
| XLOGP3 |
-2.74 |
| WLOGP |
-0.31 |
| MLOGP |
0.27 |
| ESOL Log S |
0.44 |
| ESOL Solubility (mg/ml) |
818 |
| ESOL Solubility (mol/l) |
2.78 |
| ESOL Class: esol_class |
Highly soluble |
| Ali Log S |
0.80 |
| Ali Solubility (mg/ml) |
1850 |
| Ali Solubility (mol/l) |
6.29 |
| Ali Class |
Highly soluble |
| Silicos-IT LogSw |
-2.39 |
| Silicos-IT Solubility (mg/ml) |
1.2 |
| Silicos-IT Solubility (mol/l) |
0 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
0 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-10.04 |
| Bioavailability Score |
0.55 |
| Caco2 |
1 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
-0.303 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
3.268 |
| 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 |
