
 CHEMBL2059221

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.2378   -0.7555    0.6210 C   0  0  0  0  0
   -1.9319    0.2462   -0.4430 C   0  0  0  0  0
   -1.1178   -1.0679   -0.3463 C   0  0  0  0  0
    0.2773   -0.5635   -0.1063 C   0  0  0  0  0
    0.3100    0.7968    0.0255 C   0  0  0  0  0
   -1.0144    1.4469   -0.1270 C   0  0  0  0  0
    1.6721    1.1349    0.1465 C   0  0  0  0  0
    2.4301    0.0107    0.0581 N   0  0  0  0  0
    1.5491   -0.9952   -0.1601 N   0  0  0  0  0
    2.2613    2.4661    0.3016 C   0  0  0  0  0
    3.4520    2.7397    0.3874 O   0  0  0  0  0
    1.3553    3.4774    0.3496 O   0  0  0  0  0
   -3.1562   -1.3254    0.5276 H   0  0  0  0  0
   -1.9784   -0.5298    1.6500 H   0  0  0  0  0
   -2.6052    0.3893   -1.2741 H   0  0  0  0  0
   -1.2676   -1.9419   -0.9628 H   0  0  0  0  0
   -1.3338    1.9511    0.7895 H   0  0  0  0  0
   -1.0169    2.1527   -0.9630 H   0  0  0  0  0
    1.9070   -1.9323   -0.3125 H   0  0  0  0  0
    1.9350    4.2597    0.4554 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  9 19  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 20  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2059221

>  <PubChem CID>
11607970

>  <Formula>
C8H8N2O2

>  <Molecular Weight>
164.164000

>  <IUPAC Name>


>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2C1C3=C(C2)C(=NN3)C(=O)O

>  <Isomeric SMILES>
C1C2C1C3=C(C2)C(=NN3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)

>  <InChI Key>
CUTZNERBKDMLAP-UHFFFAOYSA-N

