2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline
Formula:C17H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(2-nitrophenyl)ethenyl]quinoline |
| MolecularFormula | C17H12N2O2 |
| Smiles | [O-][N+](c1c(/C=C/c2nc3ccccc3cc2)cccc1)=O |
| InChI | InChI=1S/C17H12N2O2/c20-19(21)17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12H |
| InChIK | YHBUYTZJYLCAFX-UHFFFAOYSA-N |
| TotalMolweight | 276.294 |
| Molweight | 276.294 |
| MonoisotopicMass | 276.089878 |
| CLogP | 3.315 |
| CLogS | -4.942 |
| H Acceptors | 4 |
| TotalSurfaceArea | 216.55 |
| Relative PSA | 0.19113 |
| PolarSurfaceArea | 58.71 |
| Druglikeness | -6.6608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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