2-[(E)-2-(2-nitrophenyl)ethenyl]quinolin-8-ol
Formula:C17H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-nitrophenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(2-nitrophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H12N2O3 |
| Smiles | [O-][N+](c1c(/C=C/c(ccc2ccc3)nc2c3O)cccc1)=O |
| InChI | InChI=1S/C17H12N2O3/c20-16-7-3-5-13-9-11-14(18-17(13)16)10-8-12-4-1-2-6-15(12)19(21)22/h1-11,20H |
| InChIK | WNBSMQUQEBQBSR-UHFFFAOYSA-N |
| TotalMolweight | 292.293 |
| Molweight | 292.293 |
| MonoisotopicMass | 292.084793 |
| CLogP | 2.9693 |
| CLogS | -4.646 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 222.9 |
| Relative PSA | 0.24446 |
| PolarSurfaceArea | 78.94 |
| Druglikeness | -6.5748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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