
 GUANFACINE

 24 24  0  0  0  0  0  0  0  0999 V2000
   -1.2312   -1.3630   -0.2564 C   0  0  0  0  0
   -1.1388    0.0053   -0.4906 C   0  0  0  0  0
    0.0958    0.6573   -0.3897 C   0  0  0  0  0
    1.2646   -0.0464   -0.0401 C   0  0  0  0  0
    1.1509   -1.4331    0.1734 C   0  0  0  0  0
   -0.0859   -2.0813    0.0732 C   0  0  0  0  0
    2.5202   -2.4187    0.5565 Cl  0  0  0  0  0
    2.6084    0.6505    0.0184 C   0  0  0  0  0
    3.3138    0.7068   -1.3301 C   0  0  0  0  0
    2.8108    0.2593   -2.3595 O   0  0  0  0  0
    4.5379    1.3350   -1.2544 N   0  0  0  0  0
    5.2677    1.4254   -2.3087 C   0  0  0  0  0
    5.0537    0.9493   -3.5576 N   0  0  0  0  0
    6.4609    2.0607   -2.2654 N   0  0  0  0  0
    0.1133    2.3545   -0.7272 Cl  0  0  0  0  0
   -2.1893   -1.8695   -0.3421 H   0  0  0  0  0
   -2.0325    0.5621   -0.7630 H   0  0  0  0  0
   -0.1586   -3.1535    0.2419 H   0  0  0  0  0
    3.2717    0.1606    0.7398 H   0  0  0  0  0
    2.4933    1.6739    0.3940 H   0  0  0  0  0
    4.1041    0.5816   -3.6628 H   0  0  0  0  0
    5.2471    1.6357   -4.2774 H   0  0  0  0  0
    6.7515    2.2388   -1.3097 H   0  0  0  0  0
    7.1792    1.5727   -2.7867 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 21  1  0  0  0
 13 22  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
M  END

>  <Chemical Name>
GUANFACINE

>  <PubChem CID>
3519

>  <Formula>
C9H9Cl2N3O

>  <Molecular Weight>
246.091000

>  <IUPAC Name>
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl

>  <InChI Std. ID>
InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)

>  <InChI Key>
INJOMKTZOLKMBF-UHFFFAOYSA-N

