2-[(E)-2-(2-bromophenyl)ethenyl]quinolin-8-ol
Formula:C17H12NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-bromophenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(2-bromophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H12NOBr |
| Smiles | Oc1c2nc(/C=C/c(cccc3)c3Br)ccc2ccc1 |
| InChI | InChI=1S/C17H12BrNO/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 | XFDOYOJBVKGWCY-UHFFFAOYSA-N |
| TotalMolweight | 326.192 |
| Molweight | 326.192 |
| MonoisotopicMass | 325.010225 |
| CLogP | 4.6161 |
| CLogS | -5.02 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 217.86 |
| Relative PSA | 0.11048 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -3.189 |
| Mutagenic | none |
| Tumorigenic | none |
| 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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