2-[(E)-2-[5-(3-bromophenyl)furan-2-yl]ethenyl]quinolin-8-ol
Formula:C21H14NO2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-[5-(3-bromophenyl)furan-2-yl]ethenyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(3-bromophenyl)furan-2-yl]ethenyl]quinolin-8-ol |
| MolecularFormula | C21H14NO2Br |
| Smiles | Oc1c2nc(/C=C/c3ccc(-c4cccc(Br)c4)o3)ccc2ccc1 |
| InChI | InChI=1S/C21H14BrNO2/c22-16-5-1-4-15(13-16)20-12-11-18(25-20)10-9-17-8-7-14-3-2-6-19(24)21(14)23-17/h1-13,24H |
| InChIK | WPSUEEKNHNGJLB-UHFFFAOYSA-N |
| TotalMolweight | 392.251 |
| Molweight | 392.251 |
| MonoisotopicMass | 391.02079 |
| CLogP | 5.555 |
| CLogS | -6.48 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.31 |
| Relative PSA | 0.14283 |
| PolarSurfaceArea | 46.26 |
| Druglikeness | -1.112 |
| 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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