2-[(E)-2-(5-bromofuran-2-yl)ethenyl]quinolin-8-ol
Formula:C15H10NO2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(5-bromofuran-2-yl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(5-bromofuran-2-yl)ethenyl]quinolin-8-ol |
| MolecularFormula | C15H10NO2Br |
| Smiles | Oc1c2nc(/C=C/c(o3)ccc3Br)ccc2ccc1 |
| InChI | InChI=1S/C15H10BrNO2/c16-14-9-8-12(19-14)7-6-11-5-4-10-2-1-3-13(18)15(10)17-11/h1-9,18H |
| InChIK | RRYICKYBPXYLCQ-UHFFFAOYSA-N |
| TotalMolweight | 316.153 |
| Molweight | 316.153 |
| MonoisotopicMass | 314.98949 |
| CLogP | 3.9022 |
| CLogS | -4.465 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 207.55 |
| Relative PSA | 0.18396 |
| PolarSurfaceArea | 46.26 |
| Druglikeness | -2.622 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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