5,7-dichloro-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
Formula:C22H15N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5,7-dichloro-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol is not a drug-like molecule.
| MolName | 5,7-dichloro-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol |
| MolecularFormula | C22H15N3O2Cl2 |
| Smiles | Oc(c1nc(N/N=C\c2cc(Oc3ccccc3)ccc2)ccc1c(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H15Cl2N3O2/c23-18-12-19(24)22(28)21-17(18)9-10-20(26-21)27-25-13-14-5-4-8-16(11-14)29-15-6-2-1-3-7-15/h1-13,28H,(H,26,27) |
| InChIK | HGHGURVCUCUWQZ-UHFFFAOYSA-N |
| TotalMolweight | 424.286 |
| Molweight | 424.286 |
| MonoisotopicMass | 423.054131 |
| CLogP | 7.7702 |
| CLogS | -7.853 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 309.55 |
| Relative PSA | 0.18427 |
| PolarSurfaceArea | 66.74 |
| Druglikeness | 2.0006 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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