
 CID 69536911

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.1124    1.1613   -0.1561 C   0  0  0  0  0
   -1.1942   -0.1607   -0.5687 C   0  0  0  0  0
   -0.0260   -0.8810   -0.8108 C   0  0  0  0  0
    1.2488   -0.2919   -0.6511 C   0  0  0  0  0
    1.3331    1.0502   -0.2196 C   0  0  0  0  0
    0.1373    1.7586    0.0169 C   0  0  0  0  0
    2.5955    1.7599   -0.0166 C   0  0  0  0  0
    2.9836    3.0803   -0.1366 C   0  0  0  0  0
    4.3524    3.1366    0.2212 C   0  0  0  0  0
    4.7255    1.8495    0.5491 C   0  0  0  0  0
    3.6501    1.0176    0.4236 O   0  0  0  0  0
    5.9743    1.2801    0.9652 C   0  0  0  0  0
    7.0287    2.0211    1.1067 N   0  0  0  0  0
    8.1267    1.2444    1.5065 N   0  0  0  0  0
    9.2155    1.9390    1.5842 C   0  0  0  0  0
    9.3353    3.2602    1.3076 N   0  0  0  0  0
   10.4026    1.4138    1.9610 N   0  0  0  0  0
    2.4674   -1.1331   -0.9634 C   0  0  0  0  0
    3.3679   -0.5173   -1.7792 F   0  0  0  0  0
    3.1472   -1.5347    0.1465 F   0  0  0  0  0
    2.1492   -2.2942   -1.6154 F   0  0  0  0  0
   -2.0187    1.7304    0.0361 H   0  0  0  0  0
   -2.1644   -0.6324   -0.7042 H   0  0  0  0  0
   -0.1122   -1.9173   -1.1383 H   0  0  0  0  0
    0.1687    2.7931    0.3555 H   0  0  0  0  0
    2.3602    3.9033   -0.4573 H   0  0  0  0  0
    4.9989    4.0033    0.2336 H   0  0  0  0  0
    5.9999    0.1917    1.1541 H   0  0  0  0  0
    8.3936    3.6231    1.1671 H   0  0  0  0  0
    9.8000    3.7574    2.0566 H   0  0  0  0  0
   10.3654    0.4000    1.9647 H   0  0  0  0  0
   11.1660    1.7533    1.3885 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
M  END

>  <Chemical Name>
CID 69536911

>  <PubChem CID>
69536911

>  <Formula>
C13H11F3N4O

>  <Molecular Weight>
296.253000

>  <IUPAC Name>
2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=CC=C(O2)C=NN=C(N)N)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=CC=C(O2)C=NN=C(N)N)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C13H11F3N4O/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)

>  <InChI Key>
AXOCIGYZRMDORC-UHFFFAOYSA-N

