(E)-2,3-dichlorobut-2-ene-1,4-diol
Formula:C4H6O2Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-2,3-dichlorobut-2-ene-1,4-diol is a drug-like molecule.
| MolName | (E)-2,3-dichlorobut-2-ene-1,4-diol |
| MolecularFormula | C4H6O2Cl2 |
| Smiles | OC/C(/Cl)=C(/CO)\Cl |
| InChI | InChI=1S/C4H6Cl2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2 |
| InChIK | PNOXWLAHLQTHOJ-UHFFFAOYSA-N |
| TotalMolweight | 156.996 |
| Molweight | 156.996 |
| MonoisotopicMass | 155.974484 |
| CLogP | 0.7036 |
| CLogS | -1.664 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 107.48 |
| Relative PSA | 0.24377 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -1.5984 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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