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Chemical ID: 4612444
Chemical Details
Atom Count
Formula: | C8H9O4S- |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.4751 |
Area: | 363.851 |
Solvation: | -40.5714 |
Coulombic: | 8.98503 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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