Chemical ID: 4662170

c1(=O)[nH]c(=O)n2c(n1)sc(n2)S(=O)(=O)N
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

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