Sodium hexafluorosilicate
| Common Name: |
Sodium hexafluorosilicate |
| IUPAC Name: |
disodium;hexafluorosilicon(2-) |
| Molecular Formula: |
Na2SiF6 |
| SMILES: |
F[Si-2](F)(F)(F)(F)F.[Na+].[Na+] |
| Inchi: |
1S/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1 |
| Inchi Key: |
TWGUZEUZLCYTCG-UHFFFAOYSA-N |
| Cas No: |
16893-85-9 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
2 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
1 |
| Name |
Value |
| Molecular Weight (g/mol) |
188.06 |
| Mass (g/mol) |
187.947 |
| Molar Refractivity |
12.40 |
| Net Charge |
|
| HBD |
1 |
| HBA |
6 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
0.00 |
| Hetero Atoms |
|
| Heavy Atoms |
9 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
Melts at red heat with decomposition. |
| Boiling Point (°C@760.00mm Hg) |
|
| Vapor Pressure (mmHg@25.00 °C) |
|
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
1.00 |
| LogP |
|
| iLOGP |
0.79 |
| XLOGP3 |
-0.40 |
| WLOGP |
-1.28 |
| MLOGP |
-2.01 |
| ESOL Log S |
-0.64 |
| ESOL Solubility (mg/ml) |
43.7 |
| ESOL Solubility (mol/l) |
0.229 |
| ESOL Class: esol_class |
Very soluble |
| Ali Log S |
-1.10 |
| Ali Solubility (mg/ml) |
15 |
| Ali Solubility (mol/l) |
0.08 |
| Ali Class |
Very soluble |
| Silicos-IT LogSw |
1.35 |
| Silicos-IT Solubility (mg/ml) |
4300 |
| Silicos-IT Solubility (mol/l) |
22.5 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
0 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-7.75 |
| Bioavailability Score |
0.55 |
| Caco2 |
|
| Human Intestinal Absorption |
|
| Plasm Protein Binding |
|
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
|
| Acute Oral Toxicity |
|
| Carcinogenicity (Binary) |
|
| Carcinogenicity (Trinary) |
null |
| Eye Irritation |
|
| Hepatotoxicity |
|
| Androgen Receptor Binding |
|
| Aromatase Binding |
|
| Estrogen Receptor Binding |
|
| Glucocorticoid Receptor Binding |
|
| Thyroid Receptor Binding |
|
| BRCP inhibitor |
|
| BSEP inhibitor |
|
| OATP1B1 inhibitor |
|
| OATP1B3 inhibitor |
|
| OATP2B1 inhibitor |
|
| OCT1 inhibitor |
|
| OCT2 inhibitor |
|
