(2Z,4Z)-2,4-dichlorohexa-2,4-dienedioic acid
Formula:C6H4O4Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(2Z,4Z)-2,4-dichlorohexa-2,4-dienedioic acid is a drug-like molecule.
| MolName | (2Z,4Z)-2,4-dichlorohexa-2,4-dienedioic acid |
| MolecularFormula | C6H4O4Cl2 |
| Smiles | OC(/C=C(/C=C(/C(O)=O)\Cl)\Cl)=O |
| InChI | InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12) |
| InChIK | FHXOPKKNGKBBKG-UHFFFAOYSA-N |
| TotalMolweight | 211 |
| Molweight | 211 |
| MonoisotopicMass | 209.948664 |
| CLogP | 0.661 |
| CLogS | -1.94 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 141.96 |
| Relative PSA | 0.36827 |
| PolarSurfaceArea | 74.6 |
| Druglikeness | -2.1797 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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