(E)-5-oxohex-2-enedioic acid
Formula:C6H6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-5-oxohex-2-enedioic acid is a drug-like molecule.
| MolName | (E)-5-oxohex-2-enedioic acid |
| MolecularFormula | C6H6O5 |
| Smiles | OC(/C=C/CC(C(O)=O)=O)=O |
| InChI | InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11) |
| InChIK | OOEDHTCVMHDXRH-UHFFFAOYSA-N |
| TotalMolweight | 158.109 |
| Molweight | 158.109 |
| MonoisotopicMass | 158.021525 |
| CLogP | -1.063 |
| CLogS | -0.438 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 119.71 |
| Relative PSA | 0.54565 |
| PolarSurfaceArea | 91.67 |
| Druglikeness | -9.7293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (E)-5-oxohex-2-enedioic acid | 2 - (E)-5-oxohex-2-enedioic acid
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