2-(1H-indol-3-yl)ethanamine
PubChem CID: 11970467
Connections displayed (default: 10).
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| Topological Polar Surface Area | 130.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1H-indol-3-yl)ethanamine, sulfate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Is Pains | False |
| Molecular Formula | C10H12N2O4S-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYNMIXARELPXEJ-UHFFFAOYSA-L |
| Fcsp3 | 0.2 |
| Logs | -0.467 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.771 |
| Compound Name | 2-(1H-indol-3-yl)ethanamine, sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.052 |
| Formal Charge | -2.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 256.052 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 256.279 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.17608069411764687 |
| Inchi | InChI=1S/C10H12N2.H2O4S/c11-6-5-8-7-12-10-4-2-1-3-9(8)10, 1-5(2,3)4/h1-4,7,12H,5-6,11H2, (H2,1,2,3,4)/p-2 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CCN.[O-]S(=O)(=O)[O-] |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients