3-[(Z)-(3-nitrophenyl)methylideneamino]quinazolin-4-one
Formula:C15H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(3-nitrophenyl)methylideneamino]quinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(3-nitrophenyl)methylideneamino]quinazolin-4-one |
| MolecularFormula | C15H10N4O3 |
| Smiles | [O-][N+](c1cc(/C=N\N(C=Nc2c3cccc2)C3=O)ccc1)=O |
| InChI | InChI=1S/C15H10N4O3/c20-15-13-6-1-2-7-14(13)16-10-18(15)17-9-11-4-3-5-12(8-11)19(21)22/h1-10H |
| InChIK | GHAUOCWYKBLLHQ-UHFFFAOYSA-N |
| TotalMolweight | 294.269 |
| Molweight | 294.269 |
| MonoisotopicMass | 294.075291 |
| CLogP | 1.5504 |
| CLogS | -4.259 |
| H Acceptors | 7 |
| TotalSurfaceArea | 220.76 |
| Relative PSA | 0.31722 |
| PolarSurfaceArea | 90.85 |
| Druglikeness | -0.9689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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