5-nitro-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline
Formula:C24H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline is a drug-like molecule.
| MolName | 5-nitro-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinoline |
| MolecularFormula | C24H18N2O3 |
| Smiles | [O-][N+](c1cccc2nc(/C=C/c(cc3)ccc3OCc3ccccc3)ccc12)=O |
| InChI | InChI=1S/C24H18N2O3/c27-26(28)24-8-4-7-23-22(24)16-13-20(25-23)12-9-18-10-14-21(15-11-18)29-17-19-5-2-1-3-6-19/h1-16H,17H2 |
| InChIK | JRCTULQFHOCPLT-UHFFFAOYSA-N |
| TotalMolweight | 382.418 |
| Molweight | 382.418 |
| MonoisotopicMass | 382.131743 |
| CLogP | 4.6631 |
| CLogS | -6.283 |
| H Acceptors | 5 |
| TotalSurfaceArea | 300.07 |
| Relative PSA | 0.17126 |
| PolarSurfaceArea | 67.94 |
| Druglikeness | -6.7405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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