9-Methyl-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,10,12-tetraene-3,6-dione
PubChem CID: 10800930
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 43.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 632.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methyl-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,10,12-tetraene-3,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C16H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFYSUPXTAIBNCU-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.9 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.415 |
| Compound Name | 9-Methyl-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,10,12-tetraene-3,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0276669999999997 |
| Inchi | InChI=1S/C16H14O3/c1-16-6-2-3-9-8-19-15(14(9)16)13-10(7-16)11(17)4-5-12(13)18/h2-6,14-15H,7-8H2,1H3 |
| Smiles | CC12CC3=C(C4C1C(=CC=C2)CO4)C(=O)C=CC3=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients