
 apraclonidine

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.1837    0.0556    1.7680 C   0  0  0  0  0
   -1.1790    1.2200    2.7600 C   0  0  0  0  0
   -0.3934    2.3073    2.1183 N   0  0  0  0  0
    0.1763    1.7343    1.0976 C   0  0  0  0  0
   -0.0689    0.4033    0.9107 N   0  0  0  0  0
    0.9977    2.2625    0.1513 N   0  0  0  0  0
    1.3183    3.6415    0.0569 C   0  0  0  0  0
    0.3515    4.6619   -0.0167 C   0  0  0  0  0
    0.7311    6.0101   -0.1109 C   0  0  0  0  0
    2.0734    6.3774   -0.2029 C   0  0  0  0  0
    3.0425    5.3843   -0.0807 C   0  0  0  0  0
    2.6702    4.0392    0.0279 C   0  0  0  0  0
    3.9366    2.8567    0.1096 Cl  0  0  0  0  0
    2.4394    7.7267   -0.2025 N   0  0  0  0  0
   -1.3469    4.3335   -0.1451 Cl  0  0  0  0  0
   -1.0459   -0.9133    2.2552 H   0  0  0  0  0
   -2.1134    0.0409    1.1884 H   0  0  0  0  0
   -0.6962    0.9355    3.7013 H   0  0  0  0  0
   -2.1972    1.5577    2.9778 H   0  0  0  0  0
   -0.1894    0.1488   -0.0623 H   0  0  0  0  0
    1.8134    1.6763    0.0007 H   0  0  0  0  0
   -0.0393    6.7771   -0.1431 H   0  0  0  0  0
    4.0958    5.6529   -0.0777 H   0  0  0  0  0
    3.3611    7.9148   -0.5858 H   0  0  0  0  0
    1.7335    8.3537   -0.5789 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 14 24  1  0  0  0
 14 25  1  0  0  0
M  END

>  <Chemical Name>
apraclonidine

>  <PubChem CID>
2216

>  <Formula>
C9H10Cl2N4

>  <Molecular Weight>
245.107000

>  <IUPAC Name>
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl

>  <Isomeric SMILES>
C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)

>  <InChI Key>
IEJXVRYNEISIKR-UHFFFAOYSA-N

