(E)-3-(3-chlorophenyl)-N,N-dicyclohexylprop-2-enamide
Formula:C21H28NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N,N-dicyclohexylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N,N-dicyclohexylprop-2-enamide |
| MolecularFormula | C21H28NOCl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)N(C1CCCCC1)C1CCCCC1 |
| InChI | InChI=1S/C21H28ClNO/c22-18-9-7-8-17(16-18)14-15-21(24)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h7-9,14-16,19-20H,1-6,10-13H2 |
| InChIK | KSZUYBUVBWFUMT-UHFFFAOYSA-N |
| TotalMolweight | 345.912 |
| Molweight | 345.912 |
| MonoisotopicMass | 345.185941 |
| CLogP | 5.4115 |
| CLogS | -5.513 |
| H Acceptors | 2 |
| TotalSurfaceArea | 278.83 |
| Relative PSA | 0.059499 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -8.8493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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