2-[(2Z)-2-benzylidenehydrazinyl]-3-hydroxyquinazolin-4-one
Formula:C15H12N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-benzylidenehydrazinyl]-3-hydroxyquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-3-hydroxyquinazolin-4-one |
| MolecularFormula | C15H12N4O2 |
| Smiles | ON1C(N/N=C\c2ccccc2)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C15H12N4O2/c20-14-12-8-4-5-9-13(12)17-15(19(14)21)18-16-10-11-6-2-1-3-7-11/h1-10,21H,(H,17,18) |
| InChIK | DWIXADKDJHSOFY-UHFFFAOYSA-N |
| TotalMolweight | 280.286 |
| Molweight | 280.286 |
| MonoisotopicMass | 280.096026 |
| CLogP | 1.9305 |
| CLogS | -4.092 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 213.11 |
| Relative PSA | 0.30111 |
| PolarSurfaceArea | 77.29 |
| Druglikeness | 3.6437 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-hydroxyquinazolin-4-one | 2 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-hydroxyquinazolin-4-one
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