(E)-3-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NCc2ccncc2)=O)cc1)=O |
| InChI | InChI=1S/C15H13N3O3/c19-15(17-11-13-7-9-16-10-8-13)6-3-12-1-4-14(5-2-12)18(20)21/h1-10H,11H2,(H,17,19) |
| InChIK | PRTAUAZRLRORKB-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 0.9232 |
| CLogS | -2.979 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.92 |
| Relative PSA | 0.29295 |
| PolarSurfaceArea | 87.81 |
| Druglikeness | -4.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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