5,7-dichloro-2-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]quinolin-8-ol
Formula:C17H10N3OCl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5,7-dichloro-2-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 5,7-dichloro-2-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]quinolin-8-ol |
| MolecularFormula | C17H10N3OCl2F3 |
| Smiles | Oc(c1nc(N/N=C\c2cc(C(F)(F)F)ccc2)ccc1c(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H10Cl2F3N3O/c18-12-7-13(19)16(26)15-11(12)4-5-14(24-15)25-23-8-9-2-1-3-10(6-9)17(20,21)22/h1-8,26H,(H,24,25) |
| InChIK | LVLYHXBCTZQNEF-UHFFFAOYSA-N |
| TotalMolweight | 400.186 |
| Molweight | 400.186 |
| MonoisotopicMass | 399.0153 |
| CLogP | 7.2229 |
| CLogS | -6.334 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 269.25 |
| Relative PSA | 0.17471 |
| PolarSurfaceArea | 57.51 |
| Druglikeness | -5.0196 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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