Chemical ID: 5254291

c1cc2c(cc1S(=O)(=O)O)nc[nH]2
Chemical ID:
5254291
Name [?]:
1H-benzoimidazole-5-sulfonic acid
SMILES [?]:
c1cc2c(cc1S(=O)(=O)O)nc[nH]2
InChi [?]:
InChI=1/C7H6N2O3S/c10-13(11,12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,12,6,3,4,13,11,8,9,10,7/E:(10,11,12)/CRV:13.6/rA:13nCCCCCCSOOONCN/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s4;d11;s3s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2O3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.99653
Area:333.191
Solvation:-2.33325
Coulombic:-30.7581
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:198.2
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.16
LogP (Chemaxon):-2.15

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