3-[(E)-2-aminoethenyl]-1H-indol-5-ol
PubChem CID: 50937459
Connections displayed (default: 10).
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| Topological Polar Surface Area | 62.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(E)-2-aminoethenyl]-1H-indol-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C10H10N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGSAFKIGYSSCAA-ONEGZZNKSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.541 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.426 |
| Compound Name | 3-[(E)-2-aminoethenyl]-1H-indol-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.273566292307692 |
| Inchi | InChI=1S/C10H10N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-6,12-13H,11H2/b4-3+ |
| Smiles | C1=CC2=C(C=C1O)C(=CN2)/C=C/N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mucuna Pruriens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients