(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-2-cyano-N-phenylprop-2-enamide
Formula:C23H17N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-2-cyano-N-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-2-cyano-N-phenylprop-2-enamide |
| MolecularFormula | C23H17N2O2Cl |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1)ccc1OCc1cccc(Cl)c1 |
| InChI | InChI=1S/C23H17ClN2O2/c24-20-6-4-5-18(14-20)16-28-22-11-9-17(10-12-22)13-19(15-25)23(27)26-21-7-2-1-3-8-21/h1-14H,16H2,(H,26,27) |
| InChIK | JJVCPMUKPSRTIH-UHFFFAOYSA-N |
| TotalMolweight | 388.853 |
| Molweight | 388.853 |
| MonoisotopicMass | 388.097855 |
| CLogP | 4.9424 |
| CLogS | -5.847 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.59 |
| Relative PSA | 0.15625 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -1.9128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-2-cyano-N-phenylprop-2-enamide | 2 - (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-2-cyano-N-phenylprop-2-enamide
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