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Chemical ID: 6423196
Chemical ID:
6423196
Name [?]:
8$l^{6}-thia-7,9-diazabicyclo[4.3.0]nona-2,4,10-triene 8,8-dioxide
SMILES [?]:
c1ccc2c(c1)NS(=O)(=O)N2
InChi [?]:
InChI=1/C6H6N2O2S/c9-11(10)7-5-3-1-2-4-6(5)8-11/h1-4,7-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,11,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)/CRV:11.6/rA:11nCCCCCCNSOON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s4s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N2O2S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.38583 |
Area: | 296.944 |
Solvation: | -2.03777 |
Coulombic: | -18.4225 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 170.19 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.41 |
LogP (Chemaxon): | 0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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