1H-Pyrido[3,4-b]indole-1,3 4(2H,9H)-trione
PubChem CID: 10856837
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| Compound Synonyms | 1H-Pyrido[3,4-b]indole-1,3 4(2H,9H)-trione, 16641-79-5, 1H-Pyrido[3,4-b]indole-1,34(2H,9H)-trione, SCHEMBL6358193, CHEMBL2229717, AKOS040735613 |
|---|---|
| Topological Polar Surface Area | 79.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031 |
| Iupac Name | 9H-pyrido[3,4-b]indole-1,3,4-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H6N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRGUANBRNRLJRB-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.097 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.242 |
| Compound Name | 1H-Pyrido[3,4-b]indole-1,3 4(2H,9H)-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.038 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 214.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4535659999999995 |
| Inchi | InChI=1S/C11H6N2O3/c14-9-7-5-3-1-2-4-6(5)12-8(7)10(15)13-11(9)16/h1-4,12H,(H,13,15,16) |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C(=O)NC(=O)C3=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Ailanthoides (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Picrasma Crenata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Picrasma Excelsa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Picrasma Javanica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all