
 CHEMBL206100

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.0484   -0.0612   -0.0298 C   0  0  0  0  0
    0.5529    1.3470    0.0164 C   0  0  0  0  0
   -0.7598    1.6061    0.0165 N   0  0  0  0  0
   -0.8820    2.9915    0.0633 O   0  0  0  0  0
    0.4397    3.5433    0.0916 N   0  0  0  0  0
    1.3136    2.5425    0.0416 C   0  0  0  0  0
    2.7306    2.7143    0.0250 C   0  0  0  0  0
    3.4984    1.7580   -0.0018 O   0  0  0  0  0
    3.2039    3.9893    0.0347 N   0  0  0  0  0
    0.5285    4.7946    0.1165 O   0  0  0  0  0
    2.0284   -0.3260    0.9718 O   0  0  0  0  0
    0.2250   -0.7661    0.1256 H   0  0  0  0  0
    1.4873   -0.2768   -1.0101 H   0  0  0  0  0
    2.5977    4.8070    0.0671 H   0  0  0  0  0
    4.2054    4.1359    0.0302 H   0  0  0  0  0
    2.8356    0.1641    0.7082 H   0  0  0  0  0
  1 11  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
 11 16  1  0  0  0
M  CHG  2   5   1  10  -1
M  END

>  <Chemical Name>
CHEMBL206100

>  <PubChem CID>
10103414

>  <Formula>
C4H5N3O4

>  <Molecular Weight>
159.101000

>  <IUPAC Name>
4-(hydroxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide

>  <XlogP>
-0.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C(C1=NO[N+](=C1C(=O)N)[O-])O

>  <Isomeric SMILES>
C(C1=NO[N+](=C1C(=O)N)[O-])O

>  <InChI Std. ID>
InChI=1S/C4H5N3O4/c5-4(9)3-2(1-8)6-11-7(3)10/h8H,1H2,(H2,5,9)

>  <InChI Key>
IPHRXVUYWVWSTP-UHFFFAOYSA-N

