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Chemical ID: 7087226
Chemical ID:
7087226
Name [?]:
8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene-5-sulfonamide
SMILES [?]:
c1cc2c(c(c1)S(=O)(=O)N)non2
InChi [?]:
InChI=1/C6H5N3O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,13,11,8,9,12,7/E:(10,11)/CRV:13.6/rA:13nCCCCCCSOONNON/rB:d1;s2;s3;s4;s1d5;s5;d7;d7;s7;d4;s11;d3s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5N3O3S |
All Atoms: | 18 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.31812 |
Area: | 325.779 |
Solvation: | -2.82635 |
Coulombic: | -17.4147 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 199.188 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.24 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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