
 CHEMBL573738

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.1936   -0.0644   -1.0341 C   0  0  0  0  0
    2.5887    0.0030   -0.4698 C   0  0  0  0  0
    3.1843    1.2722   -0.3367 C   0  0  0  0  0
    4.4783    1.4121    0.1615 C   0  0  0  0  0
    5.1971    0.2860    0.5391 C   0  0  0  0  0
    4.6171   -0.9785    0.4239 C   0  0  0  0  0
    3.3092   -1.1463   -0.0711 C   0  0  0  0  0
    2.7767   -2.5080   -0.1553 C   0  0  0  0  0
    3.3507   -3.7485   -0.3610 C   0  0  0  0  0
    2.3038   -4.6999   -0.2961 C   0  0  0  0  0
    1.1462   -3.9924   -0.0469 C   0  0  0  0  0
    1.4354   -2.6616    0.0482 O   0  0  0  0  0
   -0.2197   -4.3955    0.1173 C   0  0  0  0  0
   -0.5594   -5.6454    0.0680 N   0  0  0  0  0
   -1.9441   -5.7846    0.2449 N   0  0  0  0  0
   -2.3168   -7.0242    0.2391 C   0  0  0  0  0
   -1.5048   -8.0962    0.0725 N   0  0  0  0  0
   -3.6014   -7.4106    0.4052 N   0  0  0  0  0
    0.8853    0.8998   -1.4535 H   0  0  0  0  0
    0.4761   -0.3237   -0.2494 H   0  0  0  0  0
    1.1396   -0.7937   -1.8489 H   0  0  0  0  0
    2.6375    2.1665   -0.6293 H   0  0  0  0  0
    4.9220    2.4001    0.2529 H   0  0  0  0  0
    6.2065    0.3885    0.9292 H   0  0  0  0  0
    5.1988   -1.8413    0.7427 H   0  0  0  0  0
    4.3984   -3.9428   -0.5423 H   0  0  0  0  0
    2.3753   -5.7720   -0.4168 H   0  0  0  0  0
   -0.9667   -3.5993    0.2860 H   0  0  0  0  0
   -0.5459   -7.7523    0.0927 H   0  0  0  0  0
   -1.6490   -8.7897    0.7954 H   0  0  0  0  0
   -4.2323   -6.6210    0.3184 H   0  0  0  0  0
   -3.8565   -8.1593   -0.2276 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL573738

>  <PubChem CID>
44542324

>  <Formula>
C13H14N4O

>  <Molecular Weight>
242.282000

>  <IUPAC Name>
2-[(E)-[5-(2-methylphenyl)furan-2-yl]methylideneamino]guanidine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1C2=CC=C(O2)C=NN=C(N)N

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=CC=C(O2)/C=N/N=C(N)N

>  <InChI Std. ID>
InChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)/b16-8+

>  <InChI Key>
COOWUUOZBOYBLG-LZYBPNLTSA-N

