3,5-Dichloro-2-(2,4-dichlorophenoxy)-6-(3,5-dichlorophenyl)phenol
PubChem CID: 163035792
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dichloro-2-(2,4-dichlorophenoxy)-6-(3,5-dichlorophenyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 8.5 |
| Molecular Formula | C18H8Cl6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HRJBLRFDEZHECH-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.706 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.89 |
| Compound Name | 3,5-Dichloro-2-(2,4-dichlorophenoxy)-6-(3,5-dichlorophenyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 467.863 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 465.866 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 469.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.410671292307692 |
| Inchi | InChI=1S/C18H8Cl6O2/c19-9-1-2-15(12(22)6-9)26-18-14(24)7-13(23)16(17(18)25)8-3-10(20)5-11(21)4-8/h1-7,25H |
| Smiles | C1=CC(=C(C=C1Cl)Cl)OC2=C(C=C(C(=C2O)C3=CC(=CC(=C3)Cl)Cl)Cl)Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vernonia Guineensis (Plant) Rel Props:Source_db:cmaup_ingredients