(2E)-2-(5-oxooxolan-2-ylidene)acetic acid
Formula:C6H6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(5-oxooxolan-2-ylidene)acetic acid is a drug-like molecule.
| MolName | (2E)-2-(5-oxooxolan-2-ylidene)acetic acid |
| MolecularFormula | C6H6O4 |
| Smiles | OC(/C=C(\CC1)/OC1=O)=O |
| InChI | InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h3H,1-2H2,(H,7,8) |
| InChIK | PAXZFOJFQRGLPZ-UHFFFAOYSA-N |
| TotalMolweight | 142.11 |
| Molweight | 142.11 |
| MonoisotopicMass | 142.02661 |
| CLogP | -0.4289 |
| CLogS | -1.198 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 104.08 |
| Relative PSA | 0.47252 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | -4.7267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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