
 339071-18-0

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.5973    0.7833   -0.6687 C   0  0  0  0  0
   -0.6175    1.6684   -0.9853 C   0  0  0  0  0
   -1.4811    1.7860    0.1583 O   0  0  0  0  0
   -0.7649    2.3815    1.2546 C   0  0  0  0  0
    0.4602    1.5407    1.6572 C   0  0  0  0  0
    1.3408    1.3475    0.4794 N   0  0  0  0  0
    2.5803    0.7599    0.8042 C   0  0  0  0  0
    3.6262    1.5116    1.3912 C   0  0  0  0  0
    4.8660    0.9302    1.6949 C   0  0  0  0  0
    5.1050   -0.4150    1.4245 C   0  0  0  0  0
    4.0895   -1.1680    0.8346 C   0  0  0  0  0
    2.8469   -0.5937    0.5410 C   0  0  0  0  0
    6.3832   -0.9439    1.6612 N   0  0  0  0  0
    6.4678   -2.0385    2.3459 C   0  0  0  0  0
    7.6431   -2.6965    2.6114 N   0  0  0  0  0
    8.7692   -1.8707    2.5033 O   0  0  0  0  0
    3.4631    3.2123    1.6982 Cl  0  0  0  0  0
    0.2324   -0.2219   -0.4247 H   0  0  0  0  0
    1.2422    0.7264   -1.5533 H   0  0  0  0  0
   -1.2011    1.2195   -1.7955 H   0  0  0  0  0
   -0.3088    2.6698   -1.3073 H   0  0  0  0  0
   -0.4698    3.3995    0.9729 H   0  0  0  0  0
   -1.4580    2.4551    2.0985 H   0  0  0  0  0
    0.9769    2.0455    2.4797 H   0  0  0  0  0
    0.1239    0.5606    2.0188 H   0  0  0  0  0
    5.6629    1.5345    2.1200 H   0  0  0  0  0
    4.2627   -2.2092    0.5763 H   0  0  0  0  0
    2.0941   -1.2371    0.0964 H   0  0  0  0  0
    5.5930   -2.5664    2.7671 H   0  0  0  0  0
    7.6629   -3.3124    3.4208 H   0  0  0  0  0
    8.4895   -1.2009    1.8397 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
339071-18-0

>  <PubChem CID>
9816527

>  <Formula>
C11H14ClN3O2

>  <Molecular Weight>
255.702000

>  <IUPAC Name>
N'-(3-chloro-4-morpholin-4-ylphenyl)-N-hydroxymethanimidamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COCCN1C2=C(C=C(C=C2)N=CNO)Cl

>  <Isomeric SMILES>
C1COCCN1C2=C(C=C(C=C2)N=CNO)Cl

>  <InChI Std. ID>
InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)

>  <InChI Key>
ZTXADXBIGLLOFX-UHFFFAOYSA-N

