2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one
Formula:C21H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1-phenylquinazolin-4-one |
| MolecularFormula | C21H15N5O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(N(c2ccccc2)c2c3cccc2)=NC3=O)cccc1)=O |
| InChI | InChI=1S/C21H15N5O3/c27-20-17-11-5-7-13-19(17)25(16-9-2-1-3-10-16)21(23-20)24-22-14-15-8-4-6-12-18(15)26(28)29/h1-14H,(H,23,24,27) |
| InChIK | MMAIHWGBFIILMX-UHFFFAOYSA-N |
| TotalMolweight | 385.382 |
| Molweight | 385.382 |
| MonoisotopicMass | 385.11749 |
| CLogP | 3.6695 |
| CLogS | -7.115 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 290.19 |
| Relative PSA | 0.28082 |
| PolarSurfaceArea | 102.88 |
| Druglikeness | -1.0325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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