Chemical ID: 4270836

c1cc(ccc1C(=O)O)S(=O)(=O)c2cc(ccc2C(=O)O)C(=O)O
Chemical ID:
4270836
Name [?]:
2-(4-carboxyphenyl)sulfonylterephthalic acid
SMILES [?]:
c1cc(ccc1C(=O)O)S(=O)(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C15H10O8S/c16-13(17)8-1-4-10(5-2-8)24(22,23)12-7-9(14(18)19)3-6-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,17,14,6,15,3,18,13,7,22,19,8,9,23,24,20,21,11,12,10/E:(1,2)(4,5)(16,17)(18,19)(20,21)(22,23)/CRV:24.6/rA:24nCCCCCCCOOSOOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;d19;s19;s15;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O8S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.92561
Area:503.928
Solvation:-4.67259
Coulombic:-85.1796
Bond Count [?]
All:25
Single:14
Double:11
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.301
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.84
LogP (Chemaxon):1.42

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Descriptor Annotations

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