(Z)-2-[(E)-2-hydroxyethenyl]-4-oxopent-2-enedioic acid
Formula:C7H6O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-[(E)-2-hydroxyethenyl]-4-oxopent-2-enedioic acid is a drug-like molecule.
| MolName | (Z)-2-[(E)-2-hydroxyethenyl]-4-oxopent-2-enedioic acid |
| MolecularFormula | C7H6O6 |
| Smiles | O/C=C/C(/C(O)=O)=C/C(C(O)=O)=O |
| InChI | InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13) |
| InChIK | QZWBTDVXBPUISR-UHFFFAOYSA-N |
| TotalMolweight | 186.119 |
| Molweight | 186.119 |
| MonoisotopicMass | 186.01644 |
| CLogP | -1.6297 |
| CLogS | -0.279 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 137.01 |
| Relative PSA | 0.57237 |
| PolarSurfaceArea | 111.9 |
| Druglikeness | -6.0181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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