Ambigol C
PubChem CID: 5276614
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ambigol C, 2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)phenol, 850655-31-1, CHEMBL479906, Phenol, 2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)-, DTXSID30414999, CHEBI:227983 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 8.4 |
| Molecular Formula | C18H8Cl6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVDKKFQPVUPWQK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.745 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.884 |
| Compound Name | Ambigol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 483.858 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 481.86 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 485.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.889390733333333 |
| Inchi | InChI=1S/C18H8Cl6O3/c19-8-1-3-12(10(21)5-8)26-14-7-15(17(24)18(25)16(14)23)27-13-4-2-9(20)6-11(13)22/h1-7,25H |
| Smiles | C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2Cl)O)Cl)OC3=C(C=C(C=C3)Cl)Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Annulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vernonia Guineensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all