(E)-4,4-dihydroxybut-2-enoic acid
Formula:C4H6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4-dihydroxybut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4,4-dihydroxybut-2-enoic acid |
| MolecularFormula | C4H6O4 |
| Smiles | OC(/C=C/C(O)=O)O |
| InChI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-3,5-6H,(H,7,8) |
| InChIK | JYPHALVJNORJTL-UHFFFAOYSA-N |
| TotalMolweight | 118.088 |
| Molweight | 118.088 |
| MonoisotopicMass | 118.02661 |
| CLogP | -1.2769 |
| CLogS | -0.078 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 89.3 |
| Relative PSA | 0.58611 |
| PolarSurfaceArea | 77.76 |
| Druglikeness | -0.011391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4,4-dihydroxybut-2-enoic acid | 2 - (E)-4,4-dihydroxybut-2-enoic acid
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