2-[(E)-2-(furan-2-yl)ethenyl]quinoline-4-carboxylic acid
Formula:C16H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]quinoline-4-carboxylic acid is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]quinoline-4-carboxylic acid |
| MolecularFormula | C16H11NO3 |
| Smiles | OC(c1cc(/C=C/c2ccco2)nc2ccccc12)=O |
| InChI | InChI=1S/C16H11NO3/c18-16(19)14-10-11(7-8-12-4-3-9-20-12)17-15-6-2-1-5-13(14)15/h1-10H,(H,18,19) |
| InChIK | LYIDIGKZISHYIG-UHFFFAOYSA-N |
| TotalMolweight | 265.267 |
| Molweight | 265.267 |
| MonoisotopicMass | 265.073894 |
| CLogP | 2.9104 |
| CLogS | -4.177 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.67 |
| Relative PSA | 0.24783 |
| PolarSurfaceArea | 63.33 |
| Druglikeness | -0.69177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(furan-2-yl)ethenyl]quinoline-4-carboxylic acid | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]quinoline-4-carboxylic acid
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