(E)-N-cyclohexyl-3-(4-nitrophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C20H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclohexyl-3-(4-nitrophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cyclohexyl-3-(4-nitrophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C20H21N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(N(C2CCCCC2)c2ncccc2)=O)cc1)=O |
| InChI | InChI=1S/C20H21N3O3/c24-20(14-11-16-9-12-18(13-10-16)23(25)26)22(17-6-2-1-3-7-17)19-8-4-5-15-21-19/h4-5,8-15,17H,1-3,6-7H2 |
| InChIK | GMQINCPJVNSAKW-UHFFFAOYSA-N |
| TotalMolweight | 351.405 |
| Molweight | 351.405 |
| MonoisotopicMass | 351.158292 |
| CLogP | 3.3703 |
| CLogS | -5.238 |
| H Acceptors | 6 |
| TotalSurfaceArea | 277.8 |
| Relative PSA | 0.20871 |
| PolarSurfaceArea | 79.02 |
| Druglikeness | -9.6331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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