
 Clorgiline

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.0074   -0.0214    0.0233 C   0  0  0  0  0
    2.4654    0.0172   -0.1431 N   0  0  0  0  0
    2.9016   -0.8165   -1.2802 C   0  0  0  0  0
    2.6378   -2.3135   -1.0879 C   0  0  0  0  0
    3.2031   -3.1273   -2.2512 C   0  0  0  0  0
    2.8926   -4.4999   -2.0146 O   0  0  0  0  0
    3.2753   -5.4218   -2.9521 C   0  0  0  0  0
    2.9450   -6.7639   -2.6906 C   0  0  0  0  0
    3.2915   -7.7778   -3.5871 C   0  0  0  0  0
    3.9725   -7.4538   -4.7549 C   0  0  0  0  0
    4.3085   -6.1305   -5.0314 C   0  0  0  0  0
    3.9618   -5.1159   -4.1321 C   0  0  0  0  0
    4.4036   -8.6934   -5.8668 Cl  0  0  0  0  0
    2.0960   -7.2166   -1.2522 Cl  0  0  0  0  0
    2.9316    1.4032   -0.3458 C   0  0  0  0  0
    2.7288    2.2474    0.8444 C   0  0  0  0  0
    2.5551    2.9447    1.8073 C   0  0  0  0  0
    0.6797    0.6060    0.8591 H   0  0  0  0  0
    0.6650   -1.0298    0.2750 H   0  0  0  0  0
    0.4820    0.3097   -0.8796 H   0  0  0  0  0
    3.9849   -0.6929   -1.4107 H   0  0  0  0  0
    2.4292   -0.4739   -2.2104 H   0  0  0  0  0
    1.5646   -2.5228   -1.0144 H   0  0  0  0  0
    3.0830   -2.6640   -0.1483 H   0  0  0  0  0
    4.2899   -2.9924   -2.3025 H   0  0  0  0  0
    2.7380   -2.7934   -3.1866 H   0  0  0  0  0
    3.0307   -8.8105   -3.3730 H   0  0  0  0  0
    4.8415   -5.8798   -5.9457 H   0  0  0  0  0
    4.2438   -4.0990   -4.3848 H   0  0  0  0  0
    2.4405    1.8571   -1.2159 H   0  0  0  0  0
    4.0091    1.3982   -0.5557 H   0  0  0  0  0
    2.3939    3.5570    2.6640 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  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 14  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 17  3  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
Clorgiline

>  <PubChem CID>
4380

>  <Formula>
C13H15Cl2NO

>  <Molecular Weight>
272.169000

>  <IUPAC Name>
3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine

>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C

>  <Isomeric SMILES>
CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C

>  <InChI Std. ID>
InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3

>  <InChI Key>
BTFHLQRNAMSNLC-UHFFFAOYSA-N

