(E)-3-oxoprop-1-en-1-olate
Formula:C3H3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-oxoprop-1-en-1-olate is a drug-like molecule.
| MolName | (E)-3-oxoprop-1-en-1-olate |
| MolecularFormula | C3H3O2 |
| Smiles | [O-]/C=C/C=O |
| InChI | InChI=1S/C3H4O2/c4-2-1-3-5/h1-4H/p-1 |
| InChIK | GMSHJLUJOABYOM-UHFFFAOYSA-M |
| TotalMolweight | 71.0548 |
| Molweight | 71.0548 |
| MonoisotopicMass | 71.013305 |
| CLogP | -2.9565 |
| CLogS | -0.679 |
| H Acceptors | 2 |
| TotalSurfaceArea | 67.07 |
| Relative PSA | 0.40734 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -5.4232 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 5 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (E)-3-oxoprop-1-en-1-olate | 2 - (E)-3-oxoprop-1-en-1-olate
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