7-methoxy-1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione
PubChem CID: 11066660
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 563.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OUZOLRKHSBVVKN-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.73 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.285 |
| Compound Name | 7-methoxy-1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 304.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.510325956521739 |
| Inchi | InChI=1S/C20H16O3/c1-10-4-6-13-11(2)18-17(9-15(10)13)19(21)14-7-5-12(23-3)8-16(14)20(18)22/h4-5,7-9H,6H2,1-3H3 |
| Smiles | CC1=CCC2=C(C3=C(C=C12)C(=O)C4=C(C3=O)C=C(C=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients