Malassezione
PubChem CID: 11483104
Connections displayed (default: 10).
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| Compound Synonyms | Malassezione, Malabetaezione, 1,3-bis(1H-indol-3-yl)propan-2-one, 1,3-bis(indol-3-yl)acetone, SCHEMBL21479833, CHEBI:210142 |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-bis(1H-indol-3-yl)propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C19H16N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OULRFLUQRMGBEN-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -4.05 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.892 |
| Compound Name | Malassezione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.126 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 288.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.104924545454545 |
| Inchi | InChI=1S/C19H16N2O/c22-15(9-13-11-20-18-7-3-1-5-16(13)18)10-14-12-21-19-8-4-2-6-17(14)19/h1-8,11-12,20-21H,9-10H2 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)CC3=CNC4=CC=CC=C43 |
| Nring | 4.0 |
| 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 Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients