
 ICODEXTRIN

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.8357   -0.7364    0.2977 C   0  0  0  0  0
   -0.6917   -1.5285    0.2854 C   0  0  0  0  0
    0.5679   -0.9487    0.0870 C   0  0  0  0  0
    0.6948    0.4390   -0.0981 C   0  0  0  0  0
   -0.4666    1.2302   -0.0949 C   0  0  0  0  0
   -1.7221    0.6380    0.1055 C   0  0  0  0  0
   -0.4783    2.9355   -0.3942 Cl  0  0  0  0  0
    2.0444    1.0087   -0.2949 C   0  0  0  0  0
    2.3660    2.1961    0.1072 N   0  0  0  0  0
    3.7028    2.4778   -0.1943 N   0  0  0  0  0
    4.0151    3.6988    0.1004 C   0  0  0  0  0
    3.1817    4.6167    0.6491 N   0  0  0  0  0
    5.2436    4.2223   -0.1099 N   0  0  0  0  0
    1.9243   -2.0247    0.1206 Cl  0  0  0  0  0
   -2.8130   -1.1878    0.4527 H   0  0  0  0  0
   -0.7855   -2.6022    0.4371 H   0  0  0  0  0
   -2.6226    1.2498    0.1042 H   0  0  0  0  0
    2.7997    0.3704   -0.7876 H   0  0  0  0  0
    2.2511    4.1972    0.6553 H   0  0  0  0  0
    3.1723    5.4758    0.1152 H   0  0  0  0  0
    5.9157    3.4912   -0.3151 H   0  0  0  0  0
    5.5451    4.7961    0.6679 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  3 14  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 17  1  0  0  0
  8  9  2  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
 13 21  1  0  0  0
 13 22  1  0  0  0
M  END

>  <Chemical Name>
ICODEXTRIN

>  <PubChem CID>
3517

>  <Formula>
C8H8Cl2N4

>  <Molecular Weight>
231.080000

>  <IUPAC Name>
2-[(2,6-dichlorophenyl)methylideneamino]guanidine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)

>  <InChI Key>
WDZVGELJXXEGPV-UHFFFAOYSA-N

