
 CHEMBL418252

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.4614   -0.2571   -1.1083 C   0  0  0  0  0
    2.3783   -0.0067    0.0121 N   0  0  0  0  0
    3.4040   -1.0575    0.0139 C   0  0  0  0  0
    2.9706    1.3614   -0.0374 C   0  0  0  0  0
    3.8347    1.6576    1.2020 C   0  0  0  0  0
    4.5406    3.0027    1.0571 C   0  0  0  0  0
    3.6141    4.1302    0.6887 C   0  0  0  0  0
    4.0463    5.4489    0.9020 C   0  0  0  0  0
    3.2277    6.5238    0.5639 C   0  0  0  0  0
    1.9696    6.3008    0.0064 C   0  0  0  0  0
    1.5306    4.9902   -0.2231 C   0  0  0  0  0
    2.3588    3.8896    0.0972 C   0  0  0  0  0
    1.8829    2.4676   -0.1336 C   0  0  0  0  0
   -0.0495    4.7391   -0.8985 Cl  0  0  0  0  0
    1.1582    7.3609   -0.3181 O   0  0  0  0  0
    3.7896    8.1307    0.8475 Cl  0  0  0  0  0
    0.5718    0.3773   -1.0461 H   0  0  0  0  0
    1.0838   -1.2862   -1.0800 H   0  0  0  0  0
    1.9458   -0.0975   -2.0783 H   0  0  0  0  0
    2.9424   -2.0517   -0.0213 H   0  0  0  0  0
    3.9891   -1.0483    0.9377 H   0  0  0  0  0
    4.0853   -0.9688   -0.8398 H   0  0  0  0  0
    3.6098    1.4375   -0.9294 H   0  0  0  0  0
    4.6126    0.9028    1.3516 H   0  0  0  0  0
    3.2081    1.6563    2.1039 H   0  0  0  0  0
    5.3136    2.9278    0.2818 H   0  0  0  0  0
    5.0454    3.2323    2.0036 H   0  0  0  0  0
    5.0253    5.6348    1.3391 H   0  0  0  0  0
    1.0920    2.2636    0.6008 H   0  0  0  0  0
    1.4441    2.4168   -1.1370 H   0  0  0  0  0
    1.6301    8.1798   -0.0801 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 13  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
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 16  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL418252

>  <PubChem CID>
13662892

>  <Formula>
C12H15Cl2NO

>  <Molecular Weight>
260.158000

>  <IUPAC Name>
1,3-dichloro-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)C1CCC2=CC(=C(C(=C2C1)Cl)O)Cl

>  <Isomeric SMILES>
CN(C)C1CCC2=CC(=C(C(=C2C1)Cl)O)Cl

>  <InChI Std. ID>
InChI=1S/C12H15Cl2NO/c1-15(2)8-4-3-7-5-10(13)12(16)11(14)9(7)6-8/h5,8,16H,3-4,6H2,1-2H3

>  <InChI Key>
DLLBDWADCACIQZ-UHFFFAOYSA-N

