(E)-3-(3-chlorophenyl)-N-cyclopentylprop-2-enamide
Formula:C14H16NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N-cyclopentylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N-cyclopentylprop-2-enamide |
| MolecularFormula | C14H16NOCl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)NC1CCCC1 |
| InChI | InChI=1S/C14H16ClNO/c15-12-5-3-4-11(10-12)8-9-14(17)16-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,16,17) |
| InChIK | CKQWYISVVILTKG-UHFFFAOYSA-N |
| TotalMolweight | 249.74 |
| Molweight | 249.74 |
| MonoisotopicMass | 249.092041 |
| CLogP | 3.2473 |
| CLogS | -4.031 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.43 |
| Relative PSA | 0.12347 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.7505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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