(3Z)-3-benzylidene-N-(3-chlorophenyl)-2-piperidin-1-ylcyclopentene-1-carboxamide
Formula:C24H25N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-benzylidene-N-(3-chlorophenyl)-2-piperidin-1-ylcyclopentene-1-carboxamide is not a drug-like molecule.
| MolName | (3Z)-3-benzylidene-N-(3-chlorophenyl)-2-piperidin-1-ylcyclopentene-1-carboxamide |
| MolecularFormula | C24H25N2OCl |
| Smiles | O=C(C(CC/C1=C/c2ccccc2)=C1N1CCCCC1)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C24H25ClN2O/c25-20-10-7-11-21(17-20)26-24(28)22-13-12-19(16-18-8-3-1-4-9-18)23(22)27-14-5-2-6-15-27/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H,26,28) |
| InChIK | NFDXGAPFMBMSNR-UHFFFAOYSA-N |
| TotalMolweight | 392.929 |
| Molweight | 392.929 |
| MonoisotopicMass | 392.16554 |
| CLogP | 5.4675 |
| CLogS | -5.397 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 304.9 |
| Relative PSA | 0.091997 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 3.4157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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