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Chemical ID: 5810995
Chemical ID:
5810995
Name [?]:
2-[4-(2,4,6-trimethylphenyl)sulfonylaminophenoxy]acetic acid
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc(cc2)OCC(=O)O)C
InChi [?]:
InChI=1/C17H19NO5S/c1-11-8-12(2)17(13(3)9-11)24(21,22)18-14-4-6-15(7-5-14)23-10-16(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,24,14,18,15,17,7,3,20,2,6,4,13,16,21,5,12,22,23,10,11,19,9/E:(2,3)(4,5)(6,7)(8,9)(12,13)(19,20)(21,22)/CRV:24.6/rA:24nCCCCCCCCSOONCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO5S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46975 |
Area: | 521.002 |
Solvation: | -4.5553 |
Coulombic: | -46.3872 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.402 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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