2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]quinolin-8-ol
Formula:C17H11N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H11N2O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=C/c(ccc2ccc3)nc2c3O)c1Cl)=O |
| InChI | InChI=1S/C17H11ClN2O3/c18-15-9-8-14(20(22)23)10-12(15)5-7-13-6-4-11-2-1-3-16(21)17(11)19-13/h1-10,21H |
| InChIK | WRFZCPCOOZKXHQ-UHFFFAOYSA-N |
| TotalMolweight | 326.738 |
| Molweight | 326.738 |
| MonoisotopicMass | 326.04582 |
| CLogP | 3.5753 |
| CLogS | -5.382 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.32 |
| Relative PSA | 0.22864 |
| PolarSurfaceArea | 78.94 |
| Druglikeness | -6.4184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]quinolin-8-ol | 2 - 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]quinolin-8-ol
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