(E)-N-(5-nitropyridin-2-yl)-3-phenylprop-2-enamide
Formula:C14H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-nitropyridin-2-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-nitropyridin-2-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C14H11N3O3 |
| Smiles | [O-][N+](c(cc1)cnc1NC(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C14H11N3O3/c18-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-15-13)17(19)20/h1-10H,(H,15,16,18) |
| InChIK | IRRYNVRVMDADGD-UHFFFAOYSA-N |
| TotalMolweight | 269.259 |
| Molweight | 269.259 |
| MonoisotopicMass | 269.080042 |
| CLogP | 1.5652 |
| CLogS | -3.688 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 211.16 |
| Relative PSA | 0.31204 |
| PolarSurfaceArea | 87.81 |
| Druglikeness | -5.5383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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