N-[(E)-2-(4-nitrophenyl)-1-pyridin-2-ylethenyl]aniline
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-(4-nitrophenyl)-1-pyridin-2-ylethenyl]aniline is a drug-like molecule.
| MolName | N-[(E)-2-(4-nitrophenyl)-1-pyridin-2-ylethenyl]aniline |
| MolecularFormula | C19H15N3O2 |
| Smiles | [O-][N+](c1ccc(/C=C(\c2ncccc2)/Nc2ccccc2)cc1)=O |
| InChI | InChI=1S/C19H15N3O2/c23-22(24)17-11-9-15(10-12-17)14-19(18-8-4-5-13-20-18)21-16-6-2-1-3-7-16/h1-14,21H |
| InChIK | CKBYZOPWFHLNPW-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 2.9554 |
| CLogS | -4.473 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.38 |
| Relative PSA | 0.21024 |
| PolarSurfaceArea | 70.74 |
| Druglikeness | -4.8013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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