6-[(E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid
Formula:C14H12N2O2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
6-[(E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid is a drug-like molecule.
| MolName | 6-[(E)-2-(4-aminophenyl)ethenyl]pyridine-2-carboxylic acid |
| MolecularFormula | C14H12N2O2 |
| Smiles | Nc1ccc(/C=C/c2cccc(C(O)=O)n2)cc1 |
| InChI | InChI=1S/C14H12N2O2/c15-11-7-4-10(5-8-11)6-9-12-2-1-3-13(16-12)14(17)18/h1-9H,15H2,(H,17,18) |
| InChIK | QASPDWZDKLUOPO-UHFFFAOYSA-N |
| TotalMolweight | 240.261 |
| Molweight | 240.261 |
| MonoisotopicMass | 240.089878 |
| CLogP | 1.7815 |
| CLogS | -3.094 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 190.9 |
| Relative PSA | 0.27438 |
| PolarSurfaceArea | 76.21 |
| Druglikeness | -1.1787 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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