Chemical ID: 3996791

c1cc(c(cc1C(=O)O)S(=O)(=O)NCC(=O)O)C(=O)O
Chemical ID:
3996791
Name [?]:
2-(carboxymethylsulfamoyl)benzene-1,4-dicarboxylic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)S(=O)(=O)NCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C10H9NO8S/c12-8(13)4-11-20(18,19)7-3-5(9(14)15)1-2-6(7)10(16)17/h1-3,11H,4H2,(H,12,13)(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,5,14,6,3,4,15,7,18,13,16,17,8,9,19,20,11,12,10/E:(12,13)(14,15)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCOOSOONCCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;d10;s10;s13;s14;d15;s15;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO8S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.17934
Area:457.227
Solvation:-5.25133
Coulombic:-89.7913
Bond Count [?]
All:20
Single:12
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.246
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:-0.52
LogP (Chemaxon):-0.5

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