2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]quinolin-8-ol
Formula:C17H12NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H12NO2Br |
| Smiles | Oc(cc1)cc(/C=C/c(ccc2ccc3)nc2c3O)c1Br |
| InChI | InChI=1S/C17H12BrNO2/c18-15-9-8-14(20)10-12(15)5-7-13-6-4-11-2-1-3-16(21)17(11)19-13/h1-10,20-21H |
| InChIK | MGJMCDYBWOPNOA-UHFFFAOYSA-N |
| TotalMolweight | 342.191 |
| Molweight | 342.191 |
| MonoisotopicMass | 341.00514 |
| CLogP | 4.2704 |
| CLogS | -4.724 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 224.21 |
| Relative PSA | 0.16578 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | -3.189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]quinolin-8-ol | 2 - 2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]quinolin-8-ol
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