(E)-2,3-diiodobut-2-enedioic acid
Formula:C4H2O4I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2,3-diiodobut-2-enedioic acid is a drug-like molecule.
| MolName | (E)-2,3-diiodobut-2-enedioic acid |
| MolecularFormula | C4H2O4I2 |
| Smiles | OC(/C(/I)=C(/C(O)=O)\I)=O |
| InChI | InChI=1S/C4H2I2O4/c5-1(3(7)8)2(6)4(9)10/h(H,7,8)(H,9,10) |
| InChIK | BJGNTGGAJYXRAR-UHFFFAOYSA-N |
| TotalMolweight | 367.856 |
| Molweight | 367.856 |
| MonoisotopicMass | 367.804256 |
| CLogP | 0.7712 |
| CLogS | -1.074 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 137.18 |
| Relative PSA | 0.38111 |
| PolarSurfaceArea | 74.6 |
| Druglikeness | 0.13387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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