
 carboxylic acid agonist, 32

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.6054    2.4935    0.4417 C   0  0  0  0  0
    1.9693    2.3359    0.1759 C   0  0  0  0  0
    2.6768    1.2391    0.6946 C   0  0  0  0  0
    1.9889    0.3003    1.4790 C   0  0  0  0  0
    0.6334    0.4668    1.7361 C   0  0  0  0  0
   -0.0639    1.5560    1.2261 C   0  0  0  0  0
   -0.0114   -0.4335    2.4901 F   0  0  0  0  0
    4.1575    1.0742    0.4366 C   0  0  0  0  0
    4.3850   -0.1454   -0.3262 N   0  0  0  0  0
    5.6915   -0.4861   -0.6938 C   0  0  0  0  0
    6.8215   -0.1250    0.0454 C   0  0  0  0  0
    8.1007   -0.5736   -0.3110 C   0  0  0  0  0
    8.2824   -1.4198   -1.4091 C   0  0  0  0  0
    7.1552   -1.8181   -2.1326 C   0  0  0  0  0
    5.8800   -1.3648   -1.7697 C   0  0  0  0  0
    9.6563   -1.9444   -1.7474 C   0  0  0  0  0
   10.1170   -1.5855   -3.1585 C   0  0  0  0  0
   11.4903   -2.1393   -3.4139 C   0  0  0  0  0
   12.3733   -2.3247   -2.5932 O   0  0  0  0  0
   11.7030   -2.4040   -4.7160 O   0  0  0  0  0
    0.0675    3.3474    0.0391 H   0  0  0  0  0
    2.4772    3.0788   -0.4361 H   0  0  0  0  0
    2.5067   -0.5633    1.8889 H   0  0  0  0  0
   -1.1212    1.6655    1.4441 H   0  0  0  0  0
    4.6606    1.0437    1.4099 H   0  0  0  0  0
    4.5419    1.9387   -0.1167 H   0  0  0  0  0
    3.7335   -0.2383   -1.1012 H   0  0  0  0  0
    6.7376    0.4951    0.9318 H   0  0  0  0  0
    8.9496   -0.2719    0.2987 H   0  0  0  0  0
    7.2469   -2.5032   -2.9705 H   0  0  0  0  0
    5.0231   -1.7183   -2.3382 H   0  0  0  0  0
    9.6533   -3.0350   -1.6158 H   0  0  0  0  0
   10.3852   -1.5603   -1.0210 H   0  0  0  0  0
   10.1495   -0.5003   -3.3003 H   0  0  0  0  0
    9.4284   -2.0076   -3.8988 H   0  0  0  0  0
   12.6221   -2.7417   -4.7447 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
carboxylic acid agonist, 32

>  <PubChem CID>
24825497

>  <Formula>
C16H16FNO2

>  <Molecular Weight>
273.307000

>  <IUPAC Name>
3-[4-[(3-fluorophenyl)methylamino]phenyl]propanoic acid

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=CC(=C1)F)CNC2=CC=C(C=C2)CCC(=O)O

>  <Isomeric SMILES>
C1=CC(=CC(=C1)F)CNC2=CC=C(C=C2)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C16H16FNO2/c17-14-3-1-2-13(10-14)11-18-15-7-4-12(5-8-15)6-9-16(19)20/h1-5,7-8,10,18H,6,9,11H2,(H,19,20)

>  <InChI Key>
BEDDMAWVXRZLSZ-UHFFFAOYSA-N

