2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
Formula:C21H15N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C21H15N4OF |
| Smiles | O=C1N(c2ccccc2)C(N/N=C\c(cc2)ccc2F)=Nc2c1cccc2 |
| InChI | InChI=1S/C21H15FN4O/c22-16-12-10-15(11-13-16)14-23-25-21-24-19-9-5-4-8-18(19)20(27)26(21)17-6-2-1-3-7-17/h1-14H,(H,24,25) |
| InChIK | DSZIMXHAGXBWOO-UHFFFAOYSA-N |
| TotalMolweight | 358.375 |
| Molweight | 358.375 |
| MonoisotopicMass | 358.122989 |
| CLogP | 4.4397 |
| CLogS | -6.111 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.87 |
| Relative PSA | 0.18716 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 3.1773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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