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Chemical ID: 4270836
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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