(2E)-N-phenyl-2-(2-phenylethylidene)cyclohexane-1-carboxamide
Formula:C21H23NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-phenyl-2-(2-phenylethylidene)cyclohexane-1-carboxamide is a drug-like molecule.
| MolName | (2E)-N-phenyl-2-(2-phenylethylidene)cyclohexane-1-carboxamide |
| MolecularFormula | C21H23NO |
| Smiles | O=C(C(CCCC1)/C1=C/Cc1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C21H23NO/c23-21(22-19-12-5-2-6-13-19)20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17/h1-6,9-10,12-13,16,20H,7-8,11,14-15H2,(H,22,23)/b18-16+/t20-/m1/s1 |
| InChIK | IHYKLLGXCYWZBO-BONDDZEJSA-N |
| TotalMolweight | 305.42 |
| Molweight | 305.42 |
| MonoisotopicMass | 305.177964 |
| CLogP | 4.7801 |
| CLogS | -4.585 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 254.74 |
| Relative PSA | 0.096176 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.1773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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