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Chemical ID: 5262891
Chemical ID:
5262891
Name [?]:
(4-azaniumylsulfonylphenyl)ammonium
SMILES [?]:
c1cc(ccc1[NH3+])S(=O)(=O)[NH3+]
InChi [?]:
InChI=1/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)/p+2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,11,9,10,8/E:(1,2)(3,4)(9,10)/CRV:11.6/rA:11nCCCCCCN+SOON+/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N2O2S+2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -103.093 |
Area: | 318.803 |
Solvation: | -111.064 |
Coulombic: | 121.102 |
Bond Count [?]
All: | 11 |
Single: | 6 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 174.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.84 |
LogP (Chemaxon): | -0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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