
 CHEMBL3616657

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.2997    0.6040   -3.4250 C   0  0  0  0  0
    2.3700    0.6040   -2.3746 C   0  0  0  0  0
    2.7248    1.7934   -1.7209 C   0  0  0  0  0
    3.7620    1.8148   -0.7845 C   0  0  0  0  0
    4.4192    0.6235   -0.4664 C   0  0  0  0  0
    4.0851   -0.5613   -1.1250 C   0  0  0  0  0
    3.0761   -0.5684   -2.0857 C   0  0  0  0  0
    4.0535    3.0500   -0.2606 O   0  0  0  0  0
    5.3076    3.1386    0.4081 C   0  0  0  0  0
    5.7926    4.5717    0.6302 C   0  0  0  0  0
    6.8547    4.7671    1.2170 O   0  0  0  0  0
    4.9601    5.5411    0.1001 N   0  0  0  0  0
    5.1574    6.9367    0.1264 C   0  0  0  0  0
    6.2278    7.5534    0.7723 C   0  0  0  0  0
    6.3561    8.9407    0.7472 C   0  0  0  0  0
    5.4252    9.7508    0.0954 C   0  0  0  0  0
    4.3569    9.1406   -0.5607 C   0  0  0  0  0
    4.2240    7.7422   -0.5398 C   0  0  0  0  0
    5.6772   11.0935    0.1340 O   0  0  0  0  0
    4.5769   11.9740   -0.0240 C   0  0  0  0  0
    4.2568   12.3574   -1.4569 C   0  0  0  0  0
    3.1346   12.5314   -1.9119 O   0  0  0  0  0
    5.3415   12.5436   -2.2321 O   0  0  0  0  0
    7.3966    9.4978    1.3865 F   0  0  0  0  0
    0.5097    1.3196   -3.1751 H   0  0  0  0  0
    0.8313   -0.3827   -3.5069 H   0  0  0  0  0
    1.7291    0.8715   -4.3953 H   0  0  0  0  0
    2.1996    2.7163   -1.9553 H   0  0  0  0  0
    5.2040    0.5795    0.2821 H   0  0  0  0  0
    4.6202   -1.4792   -0.8938 H   0  0  0  0  0
    2.8416   -1.4955   -2.6042 H   0  0  0  0  0
    6.0963    2.6562   -0.1831 H   0  0  0  0  0
    5.2238    2.6733    1.3973 H   0  0  0  0  0
    4.1347    5.1871   -0.3765 H   0  0  0  0  0
    6.9850    6.9995    1.3140 H   0  0  0  0  0
    3.6184    9.7140   -1.1118 H   0  0  0  0  0
    3.3827    7.2952   -1.0654 H   0  0  0  0  0
    4.8303   12.9036    0.4987 H   0  0  0  0  0
    3.6763   11.5795    0.4622 H   0  0  0  0  0
    4.9862   12.7937   -3.1096 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3616657

>  <PubChem CID>
122189677

>  <Formula>
C17H16FNO5

>  <Molecular Weight>
333.315000

>  <IUPAC Name>
2-[2-fluoro-4-[[2-(3-methylphenoxy)acetyl]amino]phenoxy]acetic acid

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)OCC(=O)O)F

>  <Isomeric SMILES>
CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)OCC(=O)O)F

>  <InChI Std. ID>
InChI=1S/C17H16FNO5/c1-11-3-2-4-13(7-11)23-9-16(20)19-12-5-6-15(14(18)8-12)24-10-17(21)22/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)

>  <InChI Key>
AKNZQIHVIIADQF-UHFFFAOYSA-N

