4,5-Bis(1H-indole-3-yl)furan-2,3-dione
PubChem CID: 9880481
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| Compound Synonyms | Pityrialactone, 4,5-bis(1H-indol-3-yl)furan-2,3-dione, 4,5-Bis(1H-indole-3-yl)furan-2,3-dione, SCHEMBL24115421, CHEBI:217970, 4,5-bis(1H-indol-3-yl)uran-2,3-dione |
|---|---|
| Topological Polar Surface Area | 75.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 628.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-bis(1H-indol-3-yl)furan-2,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C20H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDXZNBQTDZZMFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.393 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.685 |
| Compound Name | 4,5-Bis(1H-indole-3-yl)furan-2,3-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.085 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.418427400000001 |
| Inchi | InChI=1S/C20H12N2O3/c23-18-17(13-9-21-15-7-3-1-5-11(13)15)19(25-20(18)24)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H |
| Smiles | C1=CC=C2C(=C1)C(=CN2)C3=C(OC(=O)C3=O)C4=CNC5=CC=CC=C54 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Scouleri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Frangula Alnus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Clevelandii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients