(E)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enamide
Formula:C10H6N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enamide |
| MolecularFormula | C10H6N2O2Cl2 |
| Smiles | NC(/C(/C#N)=C/c1cc(Cl)cc(Cl)c1O)=O |
| InChI | InChI=1S/C10H6Cl2N2O2/c11-7-2-5(9(15)8(12)3-7)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16) |
| InChIK | ZWHNWDFKHGXXOD-UHFFFAOYSA-N |
| TotalMolweight | 257.076 |
| Molweight | 257.076 |
| MonoisotopicMass | 255.980632 |
| CLogP | 1.7944 |
| CLogS | -3.523 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 183.14 |
| Relative PSA | 0.30015 |
| PolarSurfaceArea | 87.11 |
| Druglikeness | -3.0811 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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