8-[(Z)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
Formula:C25H17N4OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
8-[(Z)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol is not a drug-like molecule.
| MolName | 8-[(Z)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol |
| MolecularFormula | C25H17N4OBr |
| Smiles | Oc1c(c(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)ccc2)c2ccc1 |
| InChI | InChI=1S/C25H17BrN4O/c26-19-12-13-21-20(14-19)24(17-6-2-1-3-7-17)29-25(28-21)30-27-15-18-10-4-8-16-9-5-11-22(31)23(16)18/h1-15,31H,(H,28,29,30) |
| InChIK | QTCODFZBUYIQAA-UHFFFAOYSA-N |
| TotalMolweight | 469.341 |
| Molweight | 469.341 |
| MonoisotopicMass | 468.058572 |
| CLogP | 8.2882 |
| CLogS | -7.839 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 320.7 |
| Relative PSA | 0.18089 |
| PolarSurfaceArea | 70.4 |
| Druglikeness | 0.38021 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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