(E)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enamide
Formula:C10H6N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C10H6N2OCl2 |
| Smiles | NC(/C(/C#N)=C/c1cccc(Cl)c1Cl)=O |
| InChI | InChI=1S/C10H6Cl2N2O/c11-8-3-1-2-6(9(8)12)4-7(5-13)10(14)15/h1-4H,(H2,14,15) |
| InChIK | VJDIXURAMZTJBM-UHFFFAOYSA-N |
| TotalMolweight | 241.077 |
| Molweight | 241.077 |
| MonoisotopicMass | 239.985717 |
| CLogP | 2.1401 |
| CLogS | -3.819 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 176.79 |
| Relative PSA | 0.23683 |
| PolarSurfaceArea | 66.88 |
| Druglikeness | -3.1086 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| StereoCon |
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