Chemical ID: 6423196

c1ccc2c(c1)NS(=O)(=O)N2
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

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Descriptor Annotations

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