(E)-3-(4-nitrophenyl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
Formula:C21H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-nitrophenyl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-nitrophenyl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide |
| MolecularFormula | C21H17N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NC(c2ccccc2)c2ncccc2)=O)cc1)=O |
| InChI | InChI=1S/C21H17N3O3/c25-20(14-11-16-9-12-18(13-10-16)24(26)27)23-21(17-6-2-1-3-7-17)19-8-4-5-15-22-19/h1-15,21H,(H,23,25)/t21-/m0/s1 |
| InChIK | SKEDBCQIUIHGFY-NRFANRHFSA-N |
| TotalMolweight | 359.384 |
| Molweight | 359.384 |
| MonoisotopicMass | 359.126992 |
| CLogP | 2.693 |
| CLogS | -4.263 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 283.42 |
| Relative PSA | 0.23248 |
| PolarSurfaceArea | 87.81 |
| Druglikeness | -4.7417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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