Scensidin
PubChem CID: 14805248
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | scensidin, 2,8-dichloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one, 2,8-dichloro-3,9-dimethoxy-1,7-dimethylbenzo(b)(1,4)benzodioxepin-6-one, CHEMBL1081411, CHEBI:144298 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8-dichloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C17H14Cl2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AYDBBWJGHVYDQE-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -7.677 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.199 |
| Compound Name | Scensidin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 369.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.435140000000001 |
| Inchi | InChI=1S/C17H14Cl2O5/c1-7-13-9(5-10(21-3)14(7)18)23-16-8(2)15(19)11(22-4)6-12(16)24-17(13)20/h5-6H,1-4H3 |
| Smiles | CC1=C2C(=CC(=C1Cl)OC)OC3=C(C(=C(C=C3OC2=O)OC)Cl)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helichrysum Italicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all