(E)-N-benzyl-3-(2-nitrophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C21H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-3-(2-nitrophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-(2-nitrophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C21H17N3O3 |
| Smiles | [O-][N+](c1c(/C=C/C(N(Cc2ccccc2)c2ncccc2)=O)cccc1)=O |
| InChI | InChI=1S/C21H17N3O3/c25-21(14-13-18-10-4-5-11-19(18)24(26)27)23(20-12-6-7-15-22-20)16-17-8-2-1-3-9-17/h1-15H,16H2 |
| InChIK | ARQGREWROSKSOV-UHFFFAOYSA-N |
| TotalMolweight | 359.384 |
| Molweight | 359.384 |
| MonoisotopicMass | 359.126992 |
| CLogP | 3.2327 |
| CLogS | -4.987 |
| H Acceptors | 6 |
| TotalSurfaceArea | 283.52 |
| Relative PSA | 0.2045 |
| PolarSurfaceArea | 79.02 |
| Druglikeness | -3.4495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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