3-naphthalen-1-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
Formula:C24H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-naphthalen-1-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-naphthalen-1-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one |
| MolecularFormula | C24H15N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(N2c3cccc4ccccc34)=Nc(cccc3)c3C2=O)o1)=O |
| InChI | InChI=1S/C24H15N3O4/c28-24-19-9-3-4-10-20(19)25-22(14-12-17-13-15-23(31-17)27(29)30)26(24)21-11-5-7-16-6-1-2-8-18(16)21/h1-15H |
| InChIK | ZLTAFTKONZAMKF-UHFFFAOYSA-N |
| TotalMolweight | 409.4 |
| Molweight | 409.4 |
| MonoisotopicMass | 409.106257 |
| CLogP | 4.123 |
| CLogS | -7.331 |
| H Acceptors | 7 |
| TotalSurfaceArea | 304.76 |
| Relative PSA | 0.23832 |
| PolarSurfaceArea | 91.63 |
| Druglikeness | -1.067 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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