(Z)-3-(4-chlorophenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
Formula:C21H22NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-chlorophenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is a drug-like molecule.
| MolName | (Z)-3-(4-chlorophenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide |
| MolecularFormula | C21H22NOCl |
| Smiles | O=C(/C=C\c(cc1)ccc1Cl)NCC1(CCCC1)c1ccccc1 |
| InChI | InChI=1S/C21H22ClNO/c22-19-11-8-17(9-12-19)10-13-20(24)23-16-21(14-4-5-15-21)18-6-2-1-3-7-18/h1-3,6-13H,4-5,14-16H2,(H,23,24) |
| InChIK | DSIBRBAYKYJDOI-UHFFFAOYSA-N |
| TotalMolweight | 339.865 |
| Molweight | 339.865 |
| MonoisotopicMass | 339.138991 |
| CLogP | 4.6891 |
| CLogS | -5.445 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 269.86 |
| Relative PSA | 0.090788 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.6844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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