(E)-3-(3-nitrophenyl)-N,N-dipyridin-2-ylprop-2-enamide
Formula:C19H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-nitrophenyl)-N,N-dipyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-nitrophenyl)-N,N-dipyridin-2-ylprop-2-enamide |
| MolecularFormula | C19H14N4O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(N(c2ncccc2)c2ncccc2)=O)ccc1)=O |
| InChI | InChI=1S/C19H14N4O3/c24-19(11-10-15-6-5-7-16(14-15)23(25)26)22(17-8-1-3-12-20-17)18-9-2-4-13-21-18/h1-14H |
| InChIK | QHQOFYOGRKKQLQ-UHFFFAOYSA-N |
| TotalMolweight | 346.345 |
| Molweight | 346.345 |
| MonoisotopicMass | 346.106591 |
| CLogP | 1.8241 |
| CLogS | -5.414 |
| H Acceptors | 7 |
| TotalSurfaceArea | 268.52 |
| Relative PSA | 0.25678 |
| PolarSurfaceArea | 91.91 |
| Druglikeness | -4.7876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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