(1E)-1-hydroxyimino-3-methylsulfanylpropan-2-one
PubChem CID: 44377758
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL167567 |
|---|---|
| Topological Polar Surface Area | 75.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (1E)-1-hydroxyimino-3-methylsulfanylpropan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C4H7NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJQBJDWFMFBDLF-GORDUTHDSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.358 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.492 |
| Compound Name | (1E)-1-hydroxyimino-3-methylsulfanylpropan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 133.02 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.02 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 133.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.2299664 |
| Inchi | InChI=1S/C4H7NO2S/c1-8-3-4(6)2-5-7/h2,7H,3H2,1H3/b5-2+ |
| Smiles | CSCC(=O)/C=N/O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
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