(7R)-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]
PubChem CID: 163092105
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 49.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7R)-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline] |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C20H19NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGUHXZNEJZIAFG-HXUWFJFHSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.857 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.692 |
| Compound Name | (7R)-6'-methylspiro[6,9-dihydro-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline] |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 353.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 353.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.111206861538462 |
| Inchi | InChI=1S/C20H19NO5/c1-21-5-4-12-6-17-18(24-10-23-17)7-15(12)20(21)8-13-2-3-16-19(25-11-22-16)14(13)9-26-20/h2-3,6-7H,4-5,8-11H2,1H3/t20-/m1/s1 |
| Smiles | CN1CCC2=CC3=C(C=C2[C@]14CC5=C(CO4)C6=C(C=C5)OCO6)OCO3 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypecoum Erectum (Plant) Rel Props:Source_db:cmaup_ingredients