2-[(E)-2-phenylethenyl]-1H-quinolin-4-one
Formula:C17H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1H-quinolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1H-quinolin-4-one |
| MolecularFormula | C17H13NO |
| Smiles | O=C1c(cccc2)c2NC(/C=C/c2ccccc2)=C1 |
| InChI | InChI=1S/C17H13NO/c19-17-12-14(11-10-13-6-2-1-3-7-13)18-16-9-5-4-8-15(16)17/h1-12H,(H,18,19) |
| InChIK | YGNABULUPJVORE-UHFFFAOYSA-N |
| TotalMolweight | 247.296 |
| Molweight | 247.296 |
| MonoisotopicMass | 247.099714 |
| CLogP | 3.3009 |
| CLogS | -4.496 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 199.94 |
| Relative PSA | 0.12254 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.53 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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