2-(furan-2-yl)-3-[(Z)-furan-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one
Formula:C17H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-(furan-2-yl)-3-[(Z)-furan-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one is a drug-like molecule.
| MolName | 2-(furan-2-yl)-3-[(Z)-furan-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one |
| MolecularFormula | C17H13N3O3 |
| Smiles | O=C(c(cccc1)c1NC1c2ccco2)N1/N=C\c1ccco1 |
| InChI | InChI=1S/C17H13N3O3/c21-17-13-6-1-2-7-14(13)19-16(15-8-4-10-23-15)20(17)18-11-12-5-3-9-22-12/h1-11,16,19H/t16-/m0/s1 |
| InChIK | DHYOXIWFGKAZBE-INIZCTEOSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 2.0782 |
| CLogS | -3.997 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.43 |
| Relative PSA | 0.2879 |
| PolarSurfaceArea | 70.98 |
| Druglikeness | 3.7958 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon | racemate |
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1 - 2-(furan-2-yl)-3-[(Z)-furan-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one | 2 - 2-(furan-2-yl)-3-[(Z)-furan-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one
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