2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol
Formula:C17H11NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H11NOClF |
| Smiles | Oc1c2nc(/C=C/c(c(F)ccc3)c3Cl)ccc2ccc1 |
| InChI | InChI=1S/C17H11ClFNO/c18-14-4-2-5-15(19)13(14)10-9-12-8-7-11-3-1-6-16(21)17(11)20-12/h1-10,21H |
| InChIK | HTZQBTSTUKBGDD-UHFFFAOYSA-N |
| TotalMolweight | 299.731 |
| Molweight | 299.731 |
| MonoisotopicMass | 299.051319 |
| CLogP | 4.5977 |
| CLogS | -5.236 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 221 |
| Relative PSA | 0.10891 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -2.6008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol | 2 - 2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol
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