(E)-4-oxo-4-phenylbut-2-enoate
Formula:C10H7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-phenylbut-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-phenylbut-2-enoate |
| MolecularFormula | C10H7O3 |
| Smiles | [O-]C(/C=C/C(c1ccccc1)=O)=O |
| InChI | InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1 |
| InChIK | PLPDHGOODMBBGN-UHFFFAOYSA-M |
| TotalMolweight | 175.163 |
| Molweight | 175.163 |
| MonoisotopicMass | 175.03952 |
| CLogP | -1.1649 |
| CLogS | -2.087 |
| H Acceptors | 3 |
| TotalSurfaceArea | 142.79 |
| Relative PSA | 0.28265 |
| PolarSurfaceArea | 57.2 |
| Druglikeness | 0.44943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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