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Chemical ID: 6653670
Chemical ID:
6653670
Name [?]:
5-nitrothiophene-2-sulfonamide
SMILES [?]:
c1cc(sc1[N+](=O)[O-])S(=O)(=O)N
InChi [?]:
InChI=1/C4H4N2O4S2/c5-12(9,10)4-2-1-3(11-4)6(7)8/h1-2H,(H2,5,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,12,6,7,8,10,11,4,9/E:(7,8)(9,10)/CRV:6.5,12.6/rA:12nCCCSCN+OO-SOON/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;d9;d9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H4N2O4S2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.110987 |
Area: | 347.262 |
Solvation: | -8.57057 |
Coulombic: | -25.9469 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.218 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.69 |
LogP (Chemaxon): | 0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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