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Chemical ID: 3996021
Chemical Details
Atom Count
Formula: | C12H14N2O6S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 0.920476 |
Area: | 425.706 |
Solvation: | -9.72217 |
Coulombic: | -42.8644 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.23 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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