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Chemical ID: 4662170
Chemical ID:
4662170
Name [?]:
2,4-dioxo-7-thia-1,3,5,9-tetrazabicyclo[4.3.0]nona-5,8-diene-8-sulfonamide
SMILES [?]:
c1(=O)[nH]c(=O)n2c(n1)sc(n2)S(=O)(=O)N
InChi [?]:
InChI=1/C4H3N5O4S2/c5-15(12,13)4-8-9-2(11)6-1(10)7-3(9)14-4/h(H2,5,12,13)(H,6,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,7,10,15,3,8,11,6,2,5,13,14,9,12/E:(12,13)/CRV:15.6/rA:15nCONCONCNSCNSOON/rB:d1;s1;s3;d4;s4;s6;s1d7;s7;s9;s6d10;s10;d12;d12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H3N5O4S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.95652 |
Area: | 376.276 |
Solvation: | -3.45039 |
Coulombic: | -62.1368 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 249.23 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -2.46 |
LogP (Chemaxon): | -0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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