
 CHEMBL2237755

 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.2702   -0.2833   -0.6890 C   0  0  0  0  0
    1.0603   -0.0538   -0.3311 C   0  0  0  0  0
    1.3636    0.4476    0.9323 C   0  0  0  0  0
    0.3483    0.7239    1.8451 C   0  0  0  0  0
   -0.9821    0.4882    1.4885 C   0  0  0  0  0
   -1.3020   -0.0143    0.2183 C   0  0  0  0  0
   -2.6906   -0.3031   -0.1216 C   0  0  0  0  0
   -3.3641   -1.4802   -0.4382 C   0  0  0  0  0
   -4.6954   -1.2047   -0.6162 N   0  0  0  0  0
   -4.8768    0.0979   -0.4893 N   0  0  0  0  0
   -3.6811    0.6501   -0.2289 N   0  0  0  0  0
   -3.5761    2.0911   -0.1976 C   0  0  0  0  0
   -3.4460    2.6743   -1.5968 C   0  0  0  0  0
   -3.2842    4.0874   -1.5114 O   0  0  0  0  0
   -2.8174   -2.8285   -0.5556 C   0  0  0  0  0
   -3.2683   -3.7398   -1.5331 C   0  0  0  0  0
   -2.7251   -5.0295   -1.6176 C   0  0  0  0  0
   -1.7174   -5.4185   -0.7428 C   0  0  0  0  0
   -1.2555   -4.5390    0.2290 C   0  0  0  0  0
   -1.8128   -3.2601    0.3310 C   0  0  0  0  0
   -1.0341   -6.9914   -0.8680 Cl  0  0  0  0  0
   -4.4635   -3.3462   -2.7247 Cl  0  0  0  0  0
    3.0041    0.7174    1.3780 Cl  0  0  0  0  0
   -0.4925   -0.6850   -1.6755 H   0  0  0  0  0
    1.8557   -0.2761   -1.0385 H   0  0  0  0  0
    0.5860    1.1096    2.8327 H   0  0  0  0  0
   -1.7656    0.6857    2.2183 H   0  0  0  0  0
   -2.7246    2.3829    0.4232 H   0  0  0  0  0
   -4.4674    2.4867    0.3045 H   0  0  0  0  0
   -4.3375    2.4615   -2.1965 H   0  0  0  0  0
   -2.5747    2.2608   -2.1159 H   0  0  0  0  0
   -3.2805    4.4303   -2.4230 H   0  0  0  0  0
   -3.0839   -5.7239   -2.3736 H   0  0  0  0  0
   -0.4666   -4.8393    0.9145 H   0  0  0  0  0
   -1.4480   -2.6091    1.1222 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  7 11  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
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 22  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2237755

>  <PubChem CID>
76322703

>  <Formula>
C16H12Cl3N3O

>  <Molecular Weight>
368.642000

>  <IUPAC Name>
2-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)triazol-1-yl]ethanol

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC=C1C2=C(N=NN2CCO)C3=C(C=C(C=C3)Cl)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1C2=C(N=NN2CCO)C3=C(C=C(C=C3)Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C16H12Cl3N3O/c17-11-3-1-10(2-4-11)16-15(20-21-22(16)7-8-23)13-6-5-12(18)9-14(13)19/h1-6,9,23H,7-8H2

>  <InChI Key>
AALMJYRTAANXKZ-UHFFFAOYSA-N

