3-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylquinazolin-4-one
Formula:C23H16N3OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
3-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylquinazolin-4-one |
| MolecularFormula | C23H16N3OBr |
| Smiles | O=C(c(cccc1)c1N=C1c2ccccc2)N1/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C23H16BrN3O/c24-19(15-17-9-3-1-4-10-17)16-25-27-22(18-11-5-2-6-12-18)26-21-14-8-7-13-20(21)23(27)28/h1-16H |
| InChIK | HGYLTINOWWQHLB-UHFFFAOYSA-N |
| TotalMolweight | 430.304 |
| Molweight | 430.304 |
| MonoisotopicMass | 429.047673 |
| CLogP | 4.7294 |
| CLogS | -5.925 |
| H Acceptors | 4 |
| TotalSurfaceArea | 298.4 |
| Relative PSA | 0.13274 |
| PolarSurfaceArea | 45.03 |
| Druglikeness | -1.2455 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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