9-methoxy-2,2-dimethyl-3H-benzo[g]chromene-4,5,10-trione
PubChem CID: 10684597
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| Compound Synonyms | CHEMBL476293 |
|---|---|
| Topological Polar Surface Area | 69.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 557.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-2,2-dimethyl-3H-benzo[g]chromene-4,5,10-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IDDSRTJBQWWHPZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -4.892 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.197 |
| Compound Name | 9-methoxy-2,2-dimethyl-3H-benzo[g]chromene-4,5,10-trione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.963683171428572 |
| Inchi | InChI=1S/C16H14O5/c1-16(2)7-9(17)12-13(18)8-5-4-6-10(20-3)11(8)14(19)15(12)21-16/h4-6H,7H2,1-3H3 |
| Smiles | CC1(CC(=O)C2=C(O1)C(=O)C3=C(C2=O)C=CC=C3OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all