2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline-4-carboxylic acid
Formula:C20H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline-4-carboxylic acid is a drug-like molecule.
| MolName | 2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline-4-carboxylic acid |
| MolecularFormula | C20H14N2O2 |
| Smiles | OC(c1cc(/C=C/c2c[nH]c3c2cccc3)nc2ccccc12)=O |
| InChI | InChI=1S/C20H14N2O2/c23-20(24)17-11-14(22-19-8-4-2-6-16(17)19)10-9-13-12-21-18-7-3-1-5-15(13)18/h1-12,21H,(H,23,24) |
| InChIK | GXKFNICYLCVCJH-UHFFFAOYSA-N |
| TotalMolweight | 314.343 |
| Molweight | 314.343 |
| MonoisotopicMass | 314.105528 |
| CLogP | 3.7611 |
| CLogS | -5.02 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 241.15 |
| Relative PSA | 0.2119 |
| PolarSurfaceArea | 65.98 |
| Druglikeness | -0.11083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline-4-carboxylic acid | 2 - 2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline-4-carboxylic acid
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