2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]quinolin-8-ol
Formula:C21H14NO2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(2-chlorophenyl)furan-2-yl]ethenyl]quinolin-8-ol |
| MolecularFormula | C21H14NO2Cl |
| Smiles | Oc1c2nc(/C=C/c3ccc(-c(cccc4)c4Cl)o3)ccc2ccc1 |
| InChI | InChI=1S/C21H14ClNO2/c22-18-6-2-1-5-17(18)20-13-12-16(25-20)11-10-15-9-8-14-4-3-7-19(24)21(14)23-15/h1-13,24H |
| InChIK | XYVPWPOJHTYZDW-UHFFFAOYSA-N |
| TotalMolweight | 347.8 |
| Molweight | 347.8 |
| MonoisotopicMass | 347.071306 |
| CLogP | 5.4358 |
| CLogS | -6.382 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 264.1 |
| Relative PSA | 0.14457 |
| PolarSurfaceArea | 46.26 |
| Druglikeness | 0.76142 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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