2-[(E)-2-(4-phenylphenyl)ethenyl]quinoline-4-carboxylic acid
Formula:C24H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-phenylphenyl)ethenyl]quinoline-4-carboxylic acid is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-phenylphenyl)ethenyl]quinoline-4-carboxylic acid |
| MolecularFormula | C24H17NO2 |
| Smiles | OC(c1cc(/C=C/c(cc2)ccc2-c2ccccc2)nc2ccccc12)=O |
| InChI | InChI=1S/C24H17NO2/c26-24(27)22-16-20(25-23-9-5-4-8-21(22)23)15-12-17-10-13-19(14-11-17)18-6-2-1-3-7-18/h1-16H,(H,26,27) |
| InChIK | CNHHGLAWUZXGBT-UHFFFAOYSA-N |
| TotalMolweight | 351.404 |
| Molweight | 351.404 |
| MonoisotopicMass | 351.125929 |
| CLogP | 5.3809 |
| CLogS | -6.581 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 276.74 |
| Relative PSA | 0.1341 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -1.2105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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