(E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
Formula:C6H8O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid |
| MolecularFormula | C6H8O5 |
| Smiles | OCCOC(/C=C/C(O)=O)=O |
| InChI | InChI=1S/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9) |
| InChIK | MAIIXYUYRNFKPL-UHFFFAOYSA-N |
| TotalMolweight | 160.125 |
| Molweight | 160.125 |
| MonoisotopicMass | 160.037175 |
| CLogP | -1.0113 |
| CLogS | -0.167 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 125.72 |
| Relative PSA | 0.49539 |
| PolarSurfaceArea | 83.83 |
| Druglikeness | -3.5351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.81818 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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