Indolium
PubChem CID: 4528438
Connections displayed (default: 10).
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| Compound Synonyms | indolium, SIKJAQJRHWYJAI-UHFFFAOYSA-O, DTXSID601336539, 783272-65-1 |
|---|---|
| Topological Polar Surface Area | 16.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-indol-1-ium |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C8H8N+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | SIKJAQJRHWYJAI-UHFFFAOYSA-O |
| Fcsp3 | 0.0 |
| Logs | -2.151 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.443 |
| Compound Name | Indolium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.066 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 118.066 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 118.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/p+1 |
| Smiles | C1=CC=C2C(=C1)C=C[NH2+]2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chimonanthus Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sauromatum Venosum (Plant) Rel Props:Source_db:cmaup_ingredients