
 AC1O0HXG

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.8304    0.2390    0.2791 C   0  0  0  0  0
    2.2116    0.0026   -0.1092 N   0  0  0  0  0
    2.8408   -1.2005    0.4208 C   0  0  0  0  0
    3.0239    1.1421   -0.0717 C   0  0  0  0  0
    2.4674    2.3337   -0.2817 N   0  0  0  0  0
    3.2716    3.3898   -0.2458 C   0  0  0  0  0
    4.5693    3.3141   -0.0018 N   0  0  0  0  0
    5.0525    2.0984    0.1992 C   0  0  0  0  0
    4.3204    0.9933    0.1598 N   0  0  0  0  0
    6.4252    2.0386    0.4922 N   0  0  0  0  0
    7.0955    0.8717    0.3231 N   0  0  0  0  0
    8.3742    0.9574    0.5139 C   0  0  0  0  0
    9.2464   -0.2196    0.3577 C   0  0  0  0  0
   10.6234   -0.0408    0.5314 C   0  0  0  0  0
   11.4888   -1.1261    0.3809 C   0  0  0  0  0
   10.9804   -2.3858    0.0609 C   0  0  0  0  0
    9.6062   -2.5658   -0.1076 C   0  0  0  0  0
    8.7403   -1.4855    0.0401 C   0  0  0  0  0
    7.4075   -1.7397   -0.1395 O   0  0  0  0  0
    2.6501    4.6216   -0.4584 N   0  0  0  0  0
    3.1079    5.9449   -0.4724 C   0  0  0  0  0
    2.1640    6.9824   -0.5782 C   0  0  0  0  0
    2.5547    8.3255   -0.5639 C   0  0  0  0  0
    3.8988    8.6445   -0.4433 C   0  0  0  0  0
    4.8548    7.6465   -0.3402 C   0  0  0  0  0
    4.4576    6.3052   -0.3538 C   0  0  0  0  0
    4.2774    9.9287   -0.4246 F   0  0  0  0  0
    0.3372    0.9530   -0.3901 H   0  0  0  0  0
    0.7630    0.6058    1.3101 H   0  0  0  0  0
    0.2531   -0.6907    0.2187 H   0  0  0  0  0
    2.1594   -2.0545    0.3362 H   0  0  0  0  0
    3.0997   -1.0855    1.4799 H   0  0  0  0  0
    3.7408   -1.4663   -0.1459 H   0  0  0  0  0
    6.8474    2.9336    0.2643 H   0  0  0  0  0
    8.8544    1.9102    0.8010 H   0  0  0  0  0
   11.0344    0.9340    0.7796 H   0  0  0  0  0
   12.5599   -0.9911    0.5113 H   0  0  0  0  0
   11.6544   -3.2309   -0.0583 H   0  0  0  0  0
    9.2093   -3.5466   -0.3556 H   0  0  0  0  0
    6.9176   -0.8931   -0.0224 H   0  0  0  0  0
    1.6643    4.4719   -0.6194 H   0  0  0  0  0
    1.1047    6.7525   -0.6659 H   0  0  0  0  0
    1.8186    9.1190   -0.6417 H   0  0  0  0  0
    5.9031    7.9103   -0.2473 H   0  0  0  0  0
    5.2340    5.5524   -0.2741 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 44  1  0  0  0
 26 45  1  0  0  0
M  END

>  <Chemical Name>
AC1O0HXG

>  <PubChem CID>
135460597

>  <Formula>
C18H18FN7O

>  <Molecular Weight>
367.388000

>  <IUPAC Name>
2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C)C1=NC(=NC(=N1)NN=CC2=CC=CC=C2O)NC3=CC=C(C=C3)F

>  <Isomeric SMILES>
CN(C)C1=NC(=NC(=N1)N/N=C/C2=CC=CC=C2O)NC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C18H18FN7O/c1-26(2)18-23-16(21-14-9-7-13(19)8-10-14)22-17(24-18)25-20-11-12-5-3-4-6-15(12)27/h3-11,27H,1-2H3,(H2,21,22,23,24,25)/b20-11+

>  <InChI Key>
AXZWNDUUVWCUGC-RGVLZGJSSA-N

