Arsenenous acid, strontium salt, tetrahydrate
| Common Name: |
Arsenenous acid, strontium salt, tetrahydrate |
| IUPAC Name: |
strontium;oxoarsinite;tetrahydrate |
| Molecular Formula: |
As2H8O8Sr |
| SMILES: |
O.O.O.O.[O-][As]=O.[O-][As]=O.[Sr+2] |
| Inchi: |
1S/2AsHO2.4H2O.Sr/c2*2-1-3;;;;;/h2*(H,2,3);4*1H2;/q;;;;;;+2/p-2 |
| Inchi Key: |
OJYQTWHPGARCCK-UHFFFAOYSA-L |
| Cas No: |
10378-48-0 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
1 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
0 |
| Name |
Value |
| Molecular Weight (g/mol) |
373.52 |
| Mass (g/mol) |
373.771 |
| Molar Refractivity |
26.45 |
| Net Charge |
|
| HBD |
5 |
| HBA |
7 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
117.18 |
| Hetero Atoms |
|
| Heavy Atoms |
11 |
| 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 |
0.46 |
| LogP |
|
| iLOGP |
1.65 |
| XLOGP3 |
-1.81 |
| WLOGP |
-0.64 |
| MLOGP |
-0.51 |
| ESOL Log S |
-0.24 |
| ESOL Solubility (mg/ml) |
165 |
| ESOL Solubility (mol/l) |
0.574 |
| ESOL Class: esol_class |
Very soluble |
| Ali Log S |
-0.22 |
| Ali Solubility (mg/ml) |
172 |
| Ali Solubility (mol/l) |
0.6 |
| Ali Class |
Very soluble |
| Silicos-IT LogSw |
0.10 |
| Silicos-IT Solubility (mg/ml) |
361 |
| Silicos-IT Solubility (mol/l) |
1.26 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
0 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-9.34 |
| Bioavailability Score |
0.55 |
| Caco2 |
1 |
| Human Intestinal Absorption |
1 |
| Plasm Protein Binding |
0.135 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
3.395 |
| 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 |
