
 SCHEMBL17056279

 37 38  0  0  0  0  0  0  0  0999 V2000
    5.2675   -1.9425    0.4659 C   0  0  0  0  0
    5.0120   -0.8161   -0.5250 C   0  0  0  0  0
    4.6487    0.4313    0.1713 N   0  0  0  0  0
    3.2350    0.8410    0.0356 C   0  0  0  0  0
    2.4749    0.9645    1.3438 C   0  0  0  0  0
    1.3263    1.7760    1.3818 C   0  0  0  0  0
    0.5642    1.9075    2.5526 C   0  0  0  0  0
    0.9419    1.1903    3.6924 C   0  0  0  0  0
    2.0699    0.3717    3.6660 C   0  0  0  0  0
    2.8284    0.2569    2.4994 C   0  0  0  0  0
   -0.6777    2.7574    2.5576 C   0  0  0  0  0
   -1.7934    2.0093    2.0929 O   0  0  0  0  0
    5.6291    1.3382    0.5815 C   0  0  0  0  0
    7.0011    1.0410    0.5217 C   0  0  0  0  0
    7.9937    1.9467    0.9363 C   0  0  0  0  0
    7.6460    3.1954    1.4506 C   0  0  0  0  0
    6.2910    3.5135    1.5408 C   0  0  0  0  0
    5.3117    2.6002    1.1121 C   0  0  0  0  0
    5.7336    5.0261    2.1766 Cl  0  0  0  0  0
    8.8628    4.3181    1.9655 Cl  0  0  0  0  0
    9.6420    1.4356    0.7741 Cl  0  0  0  0  0
    5.5987   -2.8423   -0.0626 H   0  0  0  0  0
    4.3536   -2.1938    1.0138 H   0  0  0  0  0
    6.0345   -1.6787    1.2005 H   0  0  0  0  0
    4.2063   -1.1379   -1.1961 H   0  0  0  0  0
    5.8727   -0.6731   -1.1880 H   0  0  0  0  0
    2.6774    0.1113   -0.5655 H   0  0  0  0  0
    3.1849    1.7835   -0.5256 H   0  0  0  0  0
    1.0172    2.3145    0.4864 H   0  0  0  0  0
    0.3577    1.2626    4.6077 H   0  0  0  0  0
    2.3604   -0.1816    4.5557 H   0  0  0  0  0
    3.7060   -0.3843    2.5043 H   0  0  0  0  0
   -0.5524    3.6349    1.9142 H   0  0  0  0  0
   -0.8979    3.1217    3.5666 H   0  0  0  0  0
   -1.5295    1.0737    2.0598 H   0  0  0  0  0
    7.3427    0.0809    0.1469 H   0  0  0  0  0
    4.2757    2.9097    1.2188 H   0  0  0  0  0
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  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
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  2 26  1  0  0  0
  3 13  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17056279

>  <PubChem CID>
118349190

>  <Formula>
C16H16Cl3NO

>  <Molecular Weight>
344.660000

>  <IUPAC Name>
[3-[(3,4,5-trichloro-N-ethylanilino)methyl]phenyl]methanol

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC1=CC(=CC=C1)CO)C2=CC(=C(C(=C2)Cl)Cl)Cl

>  <Isomeric SMILES>
CCN(CC1=CC(=CC=C1)CO)C2=CC(=C(C(=C2)Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C16H16Cl3NO/c1-2-20(9-11-4-3-5-12(6-11)10-21)13-7-14(17)16(19)15(18)8-13/h3-8,21H,2,9-10H2,1H3

>  <InChI Key>
ADKQZRZUMAQWDY-UHFFFAOYSA-N

