[1,3]Dioxolo[4,5-g]isoquinolin-5(6H)-one
PubChem CID: 12997610
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | [1,3]Dioxolo[4,5-g]isoquinolin-5(6H)-one, 24188-76-9, DTXSID30514605, AKOS006284008, 6,7-methylenedioxy-1(2h)-isoquinolinone, 2H-[1,3]Dioxolo[4,5-g]isoquinolin-5(6H)-one |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C10H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZERPBZADBNRMF-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -3.705 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.54 |
| Compound Name | [1,3]Dioxolo[4,5-g]isoquinolin-5(6H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 189.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 189.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.732125428571428 |
| Inchi | InChI=1S/C10H7NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h1-4H,5H2,(H,11,12) |
| Smiles | C1OC2=C(O1)C=C3C(=C2)C=CNC3=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coleonema Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients