2-[(E)-2-(3-bromophenyl)ethenyl]-5,7-dichloroquinolin-8-ol
Formula:C17H10NOBrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(E)-2-(3-bromophenyl)ethenyl]-5,7-dichloroquinolin-8-ol is not a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-5,7-dichloroquinolin-8-ol |
| MolecularFormula | C17H10NOBrCl2 |
| Smiles | Oc(c(Cl)c1)c2nc(/C=C/c3cccc(Br)c3)ccc2c1Cl |
| InChI | InChI=1S/C17H10BrCl2NO/c18-11-3-1-2-10(8-11)4-5-12-6-7-13-14(19)9-15(20)17(22)16(13)21-12/h1-9,22H |
| InChIK | AGQIHKSTZDRMFI-UHFFFAOYSA-N |
| TotalMolweight | 395.082 |
| Molweight | 395.082 |
| MonoisotopicMass | 392.932279 |
| CLogP | 5.8281 |
| CLogS | -6.492 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248.7 |
| Relative PSA | 0.096783 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -3.0508 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| 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 | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(3-bromophenyl)ethenyl]-5,7-dichloroquinolin-8-ol | 2 - 2-[(E)-2-(3-bromophenyl)ethenyl]-5,7-dichloroquinolin-8-ol
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