5,7-dichloro-2-[(E)-2-(2-fluorophenyl)ethenyl]quinolin-8-ol
Formula:C17H10NOCl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5,7-dichloro-2-[(E)-2-(2-fluorophenyl)ethenyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 5,7-dichloro-2-[(E)-2-(2-fluorophenyl)ethenyl]quinolin-8-ol |
| MolecularFormula | C17H10NOCl2F |
| Smiles | Oc(c1nc(/C=C/c(cccc2)c2F)ccc1c(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H10Cl2FNO/c18-13-9-14(19)17(22)16-12(13)8-7-11(21-16)6-5-10-3-1-2-4-15(10)20/h1-9,22H |
| InChIK | WEIGPJCCWSGQTR-UHFFFAOYSA-N |
| TotalMolweight | 334.176 |
| Molweight | 334.176 |
| MonoisotopicMass | 333.012346 |
| CLogP | 5.2037 |
| CLogS | -5.972 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.42 |
| Relative PSA | 0.10181 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -2.6008 |
| 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 |
Click to Load Molecule:
1 - 5,7-dichloro-2-[(E)-2-(2-fluorophenyl)ethenyl]quinolin-8-ol | 2 - 5,7-dichloro-2-[(E)-2-(2-fluorophenyl)ethenyl]quinolin-8-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off