3-[(Z)-benzylideneamino]-1H-quinazoline-2,4-dione
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-benzylideneamino]-1H-quinazoline-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]-1H-quinazoline-2,4-dione |
| MolecularFormula | C15H11N3O2 |
| Smiles | O=C(c(cccc1)c1NC1=O)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H11N3O2/c19-14-12-8-4-5-9-13(12)17-15(20)18(14)16-10-11-6-2-1-3-7-11/h1-10H,(H,17,20) |
| InChIK | GKIAQVLUBJJFII-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 2.423 |
| CLogS | -4.098 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 201.54 |
| Relative PSA | 0.26099 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 4.1966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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