Jkxngdlzomuebl-uhfffaoysa-
PubChem CID: 11687935
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | JKXNGDLZOMUEBL-UHFFFAOYSA-, InChI=1/C18H14O4/c1-9-4-3-5-12-11(9)6-7-13-15(19)14-10(2)8-21-18(20)17(14)22-16(12)13/h3-7,10H,8H2,1-2H3 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,13-dimethyl-15,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-11,16-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKXNGDLZOMUEBL-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.243 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.067 |
| Compound Name | Jkxngdlzomuebl-uhfffaoysa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.031906290909091 |
| Inchi | InChI=1S/C18H14O4/c1-9-4-3-5-12-11(9)6-7-13-15(19)14-10(2)8-21-18(20)17(14)22-16(12)13/h3-7,10H,8H2,1-2H3 |
| Smiles | CC1COC(=O)C2=C1C(=O)C3=C(O2)C4=CC=CC(=C4C=C3)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients