(Z)-2,3-dichloro-N-(2-hydroxyphenyl)prop-2-enamide
Formula:C9H7NO2Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(Z)-2,3-dichloro-N-(2-hydroxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2,3-dichloro-N-(2-hydroxyphenyl)prop-2-enamide |
| MolecularFormula | C9H7NO2Cl2 |
| Smiles | Oc(cccc1)c1NC(/C(/Cl)=C/Cl)=O |
| InChI | InChI=1S/C9H7Cl2NO2/c10-5-6(11)9(14)12-7-3-1-2-4-8(7)13/h1-5,13H,(H,12,14) |
| InChIK | XNCHLRKAWOAMGL-UHFFFAOYSA-N |
| TotalMolweight | 232.066 |
| Molweight | 232.066 |
| MonoisotopicMass | 230.985383 |
| CLogP | 1.8714 |
| CLogS | -2.97 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 164.37 |
| Relative PSA | 0.22875 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 0.17086 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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