(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide
Formula:C20H21N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C20H21N2OCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(C1CCCCC1)c1ncccc1 |
| InChI | InChI=1S/C20H21ClN2O/c21-18-11-5-4-8-16(18)13-14-20(24)23(17-9-2-1-3-10-17)19-12-6-7-15-22-19/h4-8,11-15,17H,1-3,9-10H2 |
| InChIK | IWEYTCCBFHSREP-UHFFFAOYSA-N |
| TotalMolweight | 340.853 |
| Molweight | 340.853 |
| MonoisotopicMass | 340.13424 |
| CLogP | 4.8979 |
| CLogS | -5.514 |
| H Acceptors | 3 |
| TotalSurfaceArea | 269.55 |
| Relative PSA | 0.10224 |
| PolarSurfaceArea | 33.2 |
| Druglikeness | -4.4993 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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