2-[(E)-2-thiophen-2-ylethenyl]-1H-quinolin-4-one
Formula:C15H11NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]-1H-quinolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]-1H-quinolin-4-one |
| MolecularFormula | C15H11NOS |
| Smiles | O=C1c(cccc2)c2NC(/C=C/c2cccs2)=C1 |
| InChI | InChI=1S/C15H11NOS/c17-15-10-11(7-8-12-4-3-9-18-12)16-14-6-2-1-5-13(14)15/h1-10H,(H,16,17) |
| InChIK | KOCZMILIFMURPN-UHFFFAOYSA-N |
| TotalMolweight | 253.324 |
| Molweight | 253.324 |
| MonoisotopicMass | 253.056134 |
| CLogP | 3.1675 |
| CLogS | -4.506 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.88 |
| Relative PSA | 0.22902 |
| PolarSurfaceArea | 57.34 |
| Druglikeness | 3.2694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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