(Z)-3-(3-stibonophenyl)prop-2-enoic acid
Formula:C9H9O5Sb
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(3-stibonophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-(3-stibonophenyl)prop-2-enoic acid |
| MolecularFormula | C9H9O5Sb |
| Smiles | OC(/C=C\c1cccc([Sb](O)(O)=O)c1)=O |
| InChI | InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2 |
| InChIK | ZTQRMGDLUGQTTF-UHFFFAOYSA-L |
| TotalMolweight | 318.925 |
| Molweight | 318.925 |
| MonoisotopicMass | 317.948821 |
| CLogP | 1.529 |
| CLogS | 0.722 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 156.35 |
| Relative PSA | 0.41816 |
| PolarSurfaceArea | 94.83 |
| Druglikeness | 0.1675 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Metal Atoms | 1 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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