Bianfugedine
PubChem CID: 126022
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| Compound Synonyms | Bianfugedine, 5,6-Methylenedioxy-9-methoxy-7H-dibenzo(de,h)quinoline-7-one, 96681-51-5, 2-Methoxy-12H-benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one, 12H-Benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one, 2-methoxy-, DTXSID40914399, 2-Methoxy-10H,12H-[1,3]benzodioxolo[6,5,4-de]benzo[h]quinolin-12-one |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13(18),14,16-octaen-19-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZLSBGPHEXHPAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -6.54 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.156 |
| Compound Name | Bianfugedine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 305.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.109374408695652 |
| Inchi | InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)15-14-9(4-5-19-16(11)14)6-13-18(15)23-8-22-13/h2-7H,8H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=NC=CC4=CC5=C(C(=C43)C2=O)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients