1,2,10-Trimethoxy-7-oxoaporphine
PubChem CID: 155431
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| Compound Synonyms | 1,2,10-Trimethoxy-7-oxoaporphine, 15562-42-2, CCRIS 3820, 7H-Dibenzo[de,g]quinolin-7-one,1,2,10-trimethoxy-, DTXSID00935242, 1,2,10-Trimethoxy-6-methyl-4,5,6,6a-tetrahydro-7H-dibenzo[de,g]quinolin-7-one |
|---|---|
| Topological Polar Surface Area | 48.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NZCXSMMAVUXISH-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -5.755 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.407 |
| Compound Name | 1,2,10-Trimethoxy-7-oxoaporphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 339.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 339.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.060724200000001 |
| Inchi | InChI=1S/C20H21NO4/c1-21-8-7-11-9-15(24-3)20(25-4)17-14-10-12(23-2)5-6-13(14)19(22)18(21)16(11)17/h5-6,9-10,18H,7-8H2,1-4H3 |
| Smiles | CN1CCC2=CC(=C(C3=C2C1C(=O)C4=C3C=C(C=C4)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients