2-[(E)-2-(4-fluorophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one
Formula:C26H17N2OF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one |
| MolecularFormula | C26H17N2OF |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2F)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C26H17FN2O/c27-20-15-12-18(13-16-20)14-17-25-28-23-10-4-3-9-22(23)26(30)29(25)24-11-5-7-19-6-1-2-8-21(19)24/h1-17H |
| InChIK | KVKUHBNSUQQXSU-UHFFFAOYSA-N |
| TotalMolweight | 392.432 |
| Molweight | 392.432 |
| MonoisotopicMass | 392.132491 |
| CLogP | 5.6053 |
| CLogS | -6.978 |
| H Acceptors | 3 |
| TotalSurfaceArea | 297.75 |
| Relative PSA | 0.094374 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.40633 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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