2-amino-4-sulfanyl(213C)butanoic acid
PubChem CID: 10154084
Connections displayed (default: 10).
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| Topological Polar Surface Area | 64.3 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 86.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-4-sulfanyl(213C)butanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.4 |
| Molecular Formula | C4H9NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFFHZYDWPBMWHY-LBPDFUHNSA-N |
| Fcsp3 | 0.75 |
| Logs | -0.614 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.9 |
| Compound Name | 2-amino-4-sulfanyl(213C)butanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.039 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.039 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 136.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.6619817999920006 |
| Inchi | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/i3+1 |
| Smiles | C(CS)[13CH](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients