5,7-dichloro-2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]quinolin-8-ol
Formula:C16H9N3OCl3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5,7-dichloro-2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 5,7-dichloro-2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]quinolin-8-ol |
| MolecularFormula | C16H9N3OCl3F |
| Smiles | Oc(c1nc(N/N=C\c(c(F)ccc2)c2Cl)ccc1c(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H9Cl3FN3O/c17-10-2-1-3-13(20)9(10)7-21-23-14-5-4-8-11(18)6-12(19)16(24)15(8)22-14/h1-7,24H,(H,22,23) |
| InChIK | DFQHGXGTGKXAIR-UHFFFAOYSA-N |
| TotalMolweight | 384.624 |
| Molweight | 384.624 |
| MonoisotopicMass | 382.979521 |
| CLogP | 7.0814 |
| CLogS | -6.606 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 261.56 |
| Relative PSA | 0.17984 |
| PolarSurfaceArea | 57.51 |
| Druglikeness | 0.83044 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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