(E)-N-cyclopentyl-3-(4-nitrophenyl)prop-2-enamide
Formula:C14H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclopentyl-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cyclopentyl-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C14H16N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NC2CCCC2)=O)cc1)=O |
| InChI | InChI=1S/C14H16N2O3/c17-14(15-12-3-1-2-4-12)10-7-11-5-8-13(9-6-11)16(18)19/h5-10,12H,1-4H2,(H,15,17) |
| InChIK | RPJXZXKKMKFNMU-UHFFFAOYSA-N |
| TotalMolweight | 260.292 |
| Molweight | 260.292 |
| MonoisotopicMass | 260.116093 |
| CLogP | 1.7197 |
| CLogS | -3.755 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.68 |
| Relative PSA | 0.26572 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -6.8742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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