Chemical ID: 6724175

Cc1ccc(cc1C)OCC(=O)Nc2cc(ccc2C(=O)[O-])O
Chemical ID:
6724175
Name [?]:
2-[2-(3,4-dimethylphenoxy)acetyl]amino-4-hydroxy-benzoate
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2cc(ccc2C(=O)[O-])O
InChi [?]:
InChI=1/C17H17NO5/c1-10-3-5-13(7-11(10)2)23-9-16(20)18-15-8-12(19)4-6-14(15)17(21)22/h3-8,19H,9H2,1-2H3,(H,18,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,8,3,17,4,18,6,15,10,2,7,16,5,19,14,11,20,13,23,12,21,22,9/E:(21,22)/rA:23nCCCCCCCCOCCONCCCCCCCOO-O/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16NO5-
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-29.4671
Area:520.048
Solvation:-42.4683
Coulombic:-47.9341
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.313
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.92
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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