Chemical ID: 6141136

Cc1ccc(cc1C(=O)O)S(=O)(=O)N(CCO)CCO
Chemical ID:
6141136
Name [?]:
5-[bis(2-hydroxyethyl)sulfamoyl]-2-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1C(=O)O)S(=O)(=O)N(CCO)CCO
InChi [?]:
InChI=1/C12H17NO6S/c1-9-2-3-10(8-11(9)12(16)17)20(18,19)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,18,16,19,6,2,5,7,8,14,17,20,9,10,12,13,11/E:(4,5)(6,7)(14,15)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCCOOSOONCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;d11;s11;s14;s15;s16;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO6S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.89049
Area:465.398
Solvation:-4.74447
Coulombic:-67.3961
Bond Count [?]
All:20
Single:14
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.333
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-0.26
LogP (Chemaxon):0.27

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