(Z)-3-oxo-3-phenylprop-1-en-1-olate
Formula:C9H7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-oxo-3-phenylprop-1-en-1-olate is a drug-like molecule.
| MolName | (Z)-3-oxo-3-phenylprop-1-en-1-olate |
| MolecularFormula | C9H7O2 |
| Smiles | [O-]/C=C\C(c1ccccc1)=O |
| InChI | InChI=1S/C9H8O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-7,10H/p-1 |
| InChIK | KZHCVYMQWVJNEY-UHFFFAOYSA-M |
| TotalMolweight | 147.153 |
| Molweight | 147.153 |
| MonoisotopicMass | 147.044605 |
| CLogP | -1.2639 |
| CLogS | -2.287 |
| H Acceptors | 2 |
| TotalSurfaceArea | 125.04 |
| Relative PSA | 0.21849 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -0.13631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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