CID 6994586
PubChem CID: 6994586
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| Compound Synonyms | 2-(methylazaniumyl)ethanesulfonate, N-methyl taurine |
|---|---|
| Topological Polar Surface Area | 82.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methylazaniumyl)ethanesulfonate |
| Prediction Hob | 1.0 |
| Xlogp | -3.7 |
| Molecular Formula | C3H9NO3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUZRRICLUFMAQD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.201 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.105 |
| Compound Name | CID 6994586 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.03 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 139.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.7631088000000004 |
| Inchi | InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7) |
| Smiles | C[NH2+]CCS(=O)(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Govaniana (Plant) Rel Props:Source_db:cmaup_ingredients