(2S)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid
PubChem CID: 10465488
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| Topological Polar Surface Area | 91.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H13NO3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | LKRAEHUDIUJBSF-SSDOTTSWSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.346 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.018 |
| Compound Name | (2S)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 203.062 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 203.062 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 203.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3279305999999997 |
| Inchi | InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m1/s1 |
| Smiles | CC(=O)N[C@H](CSCC=C)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients