2-(2-chlorophenyl)-3-[(Z)-(3-nitrophenyl)methylideneamino]quinazolin-4-one
Formula:C21H13N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-chlorophenyl)-3-[(Z)-(3-nitrophenyl)methylideneamino]quinazolin-4-one is a drug-like molecule.
| MolName | 2-(2-chlorophenyl)-3-[(Z)-(3-nitrophenyl)methylideneamino]quinazolin-4-one |
| MolecularFormula | C21H13N4O3Cl |
| Smiles | [O-][N+](c1cccc(/C=N\N(C(c(cccc2)c2Cl)=Nc2c3cccc2)C3=O)c1)=O |
| InChI | InChI=1S/C21H13ClN4O3/c22-18-10-3-1-8-16(18)20-24-19-11-4-2-9-17(19)21(27)25(20)23-13-14-6-5-7-15(12-14)26(28)29/h1-13H |
| InChIK | KWFBBXFFNNJRRQ-UHFFFAOYSA-N |
| TotalMolweight | 404.812 |
| Molweight | 404.812 |
| MonoisotopicMass | 404.067618 |
| CLogP | 3.8029 |
| CLogS | -5.996 |
| H Acceptors | 7 |
| TotalSurfaceArea | 294.15 |
| Relative PSA | 0.23808 |
| PolarSurfaceArea | 90.85 |
| Druglikeness | -1.2884 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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