2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
Formula:C15H11N4O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one |
| MolecularFormula | C15H11N4O2Br |
| Smiles | ON1C(N/N=C\c(cc2)ccc2Br)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C15H11BrN4O2/c16-11-7-5-10(6-8-11)9-17-19-15-18-13-4-2-1-3-12(13)14(21)20(15)22/h1-9,22H,(H,18,19) |
| InChIK | KMJOYYXWTMLWLH-UHFFFAOYSA-N |
| TotalMolweight | 359.182 |
| Molweight | 359.182 |
| MonoisotopicMass | 358.006537 |
| CLogP | 2.6557 |
| CLogS | -4.926 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 231.74 |
| Relative PSA | 0.27691 |
| PolarSurfaceArea | 77.29 |
| Druglikeness | 1.8537 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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