2-[(E)-2-(3-bromo-5-chloro-2-hydroxyphenyl)ethenyl]-1H-quinolin-4-one
Formula:C17H11NO2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromo-5-chloro-2-hydroxyphenyl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromo-5-chloro-2-hydroxyphenyl)ethenyl]-1H-quinolin-4-one |
| MolecularFormula | C17H11NO2BrCl |
| Smiles | Oc(c(/C=C/C(Nc1c2cccc1)=CC2=O)cc(Cl)c1)c1Br |
| InChI | InChI=1S/C17H11BrClNO2/c18-14-8-11(19)7-10(17(14)22)5-6-12-9-16(21)13-3-1-2-4-15(13)20-12/h1-9,22H,(H,20,21) |
| InChIK | PXPRDFVLDFTOEM-UHFFFAOYSA-N |
| TotalMolweight | 376.636 |
| Molweight | 376.636 |
| MonoisotopicMass | 374.966167 |
| CLogP | 4.2864 |
| CLogS | -5.77 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 240.34 |
| Relative PSA | 0.15645 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -0.18213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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