2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylquinazolin-4-one
Formula:C21H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C21H16N4O |
| Smiles | O=C1N(c2ccccc2)C(N/N=C\c2ccccc2)=Nc2c1cccc2 |
| InChI | InChI=1S/C21H16N4O/c26-20-18-13-7-8-14-19(18)23-21(25(20)17-11-5-2-6-12-17)24-22-15-16-9-3-1-4-10-16/h1-15H,(H,23,24) |
| InChIK | BRKYQUWCIDLKEY-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 4.3389 |
| CLogS | -5.797 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.52 |
| Relative PSA | 0.19162 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 4.5173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylquinazolin-4-one | 2 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylquinazolin-4-one
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