2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-8-ol
Formula:C17H12NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H12NOCl |
| Smiles | Oc1c2nc(/C=C/c(cccc3)c3Cl)ccc2ccc1 |
| InChI | InChI=1S/C17H12ClNO/c18-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)19-14/h1-11,20H |
| InChIK | IKSSRFPHUMSEMV-UHFFFAOYSA-N |
| TotalMolweight | 281.741 |
| Molweight | 281.741 |
| MonoisotopicMass | 281.060741 |
| CLogP | 4.4969 |
| CLogS | -4.922 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 214.65 |
| Relative PSA | 0.11214 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -1.2608 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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