2,3-dimethoxy-1H-benzo[g]quinoline-4,5,10-trione
PubChem CID: 101863159
Connections displayed (default: 10).
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| Topological Polar Surface Area | 81.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxy-1H-benzo[g]quinoline-4,5,10-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C15H11NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEZKDWRCKOEPLN-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.049 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.564 |
| Compound Name | 2,3-dimethoxy-1H-benzo[g]quinoline-4,5,10-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 285.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.537438142857143 |
| Inchi | InChI=1S/C15H11NO5/c1-20-14-13(19)9-10(16-15(14)21-2)12(18)8-6-4-3-5-7(8)11(9)17/h3-6H,1-2H3,(H,16,19) |
| Smiles | COC1=C(NC2=C(C1=O)C(=O)C3=CC=CC=C3C2=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Vilmorini (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mortonia Palmeri (Plant) Rel Props:Source_db:cmaup_ingredients