2-[(E)-2-naphthalen-1-ylethenyl]-3-phenylquinazolin-4-one
Formula:C26H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-naphthalen-1-ylethenyl]-3-phenylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-naphthalen-1-ylethenyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C26H18N2O |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cccc3ccccc23)N1c1ccccc1 |
| InChI | InChI=1S/C26H18N2O/c29-26-23-15-6-7-16-24(23)27-25(28(26)21-12-2-1-3-13-21)18-17-20-11-8-10-19-9-4-5-14-22(19)20/h1-18H |
| InChIK | XSQBDTWVOXBIIM-UHFFFAOYSA-N |
| TotalMolweight | 374.442 |
| Molweight | 374.442 |
| MonoisotopicMass | 374.141913 |
| CLogP | 5.5045 |
| CLogS | -6.664 |
| H Acceptors | 3 |
| TotalSurfaceArea | 291.4 |
| Relative PSA | 0.096431 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.7463 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-2-naphthalen-1-ylethenyl]-3-phenylquinazolin-4-one | 2 - 2-[(E)-2-naphthalen-1-ylethenyl]-3-phenylquinazolin-4-one
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