Sodium monofluorophosphate
| Common Name: |
Sodium monofluorophosphate |
| IUPAC Name: |
disodium;fluoro-dioxido-oxo-?5-phosphane |
| Molecular Formula: |
H2FO3P |
| SMILES: |
[O-]P(=O)([O-])F.[Na+].[Na+] |
| Inchi: |
1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 |
| Inchi Key: |
BFDWBSRJQZPEEB-UHFFFAOYSA-L |
| Cas No: |
10163-15-2 |
| Name |
Value |
| Lipinski Violations |
1 |
| Ghose Violations |
1 |
| Veber Violations |
1 |
| Egan Violations |
1 |
| Muegge Violations |
3 |
| Name |
Value |
| Molecular Weight (g/mol) |
143.95 |
| Mass (g/mol) |
143.936 |
| Molar Refractivity |
10.09 |
| Net Charge |
|
| HBD |
6 |
| HBA |
8 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
73.00 |
| Hetero Atoms |
5 |
| Heavy Atoms |
7 |
| 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 |
0.44 |
| LogP |
0.049 |
| 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 |
| 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 |
0.431 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
3.631 |
| 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 |
