(E)-3-quinolin-2-ylprop-2-enoate
Formula:C12H8NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-quinolin-2-ylprop-2-enoate is a drug-like molecule.
| MolName | (E)-3-quinolin-2-ylprop-2-enoate |
| MolecularFormula | C12H8NO2 |
| Smiles | [O-]C(/C=C/c1nc2ccccc2cc1)=O |
| InChI | InChI=1S/C12H9NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-8H,(H,14,15)/p-1 |
| InChIK | QHJIDQGIAPCVMU-UHFFFAOYSA-M |
| TotalMolweight | 198.201 |
| Molweight | 198.201 |
| MonoisotopicMass | 198.055504 |
| CLogP | -0.2321 |
| CLogS | -2.729 |
| H Acceptors | 3 |
| TotalSurfaceArea | 158.4 |
| Relative PSA | 0.24173 |
| PolarSurfaceArea | 53.02 |
| Druglikeness | -0.44638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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