3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(furan-2-yl)quinazolin-4-one
Formula:C19H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(furan-2-yl)quinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(furan-2-yl)quinazolin-4-one |
| MolecularFormula | C19H11N3O2Cl2 |
| Smiles | O=C(c(cccc1)c1N=C1c2ccco2)N1/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H11Cl2N3O2/c20-13-8-7-12(15(21)10-13)11-22-24-18(17-6-3-9-26-17)23-16-5-2-1-4-14(16)19(24)25/h1-11H |
| InChIK | VQHNQHRRZAHHED-UHFFFAOYSA-N |
| TotalMolweight | 384.221 |
| Molweight | 384.221 |
| MonoisotopicMass | 383.022831 |
| CLogP | 4.5192 |
| CLogS | -5.954 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.59 |
| Relative PSA | 0.19493 |
| PolarSurfaceArea | 58.17 |
| Druglikeness | 3.7273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| StereoCon |
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