(E)-N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
Formula:C16H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H20N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NC2CCCCCC2)=O)cc1)=O |
| InChI | InChI=1S/C16H20N2O3/c19-16(17-14-5-3-1-2-4-6-14)12-9-13-7-10-15(11-8-13)18(20)21/h7-12,14H,1-6H2,(H,17,19) |
| InChIK | IFHZRKWMHHETDB-UHFFFAOYSA-N |
| TotalMolweight | 288.346 |
| Molweight | 288.346 |
| MonoisotopicMass | 288.147393 |
| CLogP | 2.4037 |
| CLogS | -4.295 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.2 |
| Relative PSA | 0.2345 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -9.2358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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