(E)-5-pyridin-3-ylpent-2-enoic acid
Formula:C10H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-5-pyridin-3-ylpent-2-enoic acid is a drug-like molecule.
| MolName | (E)-5-pyridin-3-ylpent-2-enoic acid |
| MolecularFormula | C10H11NO2 |
| Smiles | OC(/C=C/CCc1cnccc1)=O |
| InChI | InChI=1S/C10H11NO2/c12-10(13)6-2-1-4-9-5-3-7-11-8-9/h2-3,5-8H,1,4H2,(H,12,13) |
| InChIK | TURREOGCNDOGOD-UHFFFAOYSA-N |
| TotalMolweight | 177.202 |
| Molweight | 177.202 |
| MonoisotopicMass | 177.078979 |
| CLogP | 1.2529 |
| CLogS | -1.381 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 150.14 |
| Relative PSA | 0.24717 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -5.0065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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