2-[(E)-2-thiophen-2-ylethenyl]quinolin-8-ol
Formula:C15H11NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]quinolin-8-ol is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]quinolin-8-ol |
| MolecularFormula | C15H11NOS |
| Smiles | Oc1c2nc(/C=C/c3cccs3)ccc2ccc1 |
| InChI | InChI=1S/C15H11NOS/c17-14-5-1-3-11-6-7-12(16-15(11)14)8-9-13-4-2-10-18-13/h1-10,17H |
| InChIK | KHSVOAWASYWZQU-UHFFFAOYSA-N |
| TotalMolweight | 253.324 |
| Molweight | 253.324 |
| MonoisotopicMass | 253.056134 |
| CLogP | 3.7575 |
| CLogS | -4.196 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.17 |
| Relative PSA | 0.22765 |
| PolarSurfaceArea | 61.36 |
| Druglikeness | 1.4652 |
| 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 | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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