
 CHEMBL493129

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.3215   -0.8303   -0.8287 C   0  0  0  0  0
    1.9668    0.4696   -0.5286 O   0  0  0  0  0
    2.8243    1.5242   -0.4846 C   0  0  0  0  0
    2.3137    2.7899   -0.1717 C   0  0  0  0  0
    3.1581    3.9021   -0.1187 C   0  0  0  0  0
    4.5238    3.7602   -0.3737 C   0  0  0  0  0
    5.0562    2.4984   -0.6807 C   0  0  0  0  0
    4.2043    1.3840   -0.7428 C   0  0  0  0  0
    6.5284    2.3339   -0.9616 C   0  0  0  0  0
    7.3543    2.8118    0.2487 C   0  0  0  0  0
    7.2910    1.3373   -0.0966 C   0  0  0  0  0
    8.4500    0.7052   -0.8739 C   0  0  0  0  0
    9.3000   -0.0468    0.0407 N   0  0  0  0  0
    2.3390   -0.7320    3.0601 Cl  0  0  0  0  0
    1.4179   -1.4718   -0.7827 H   0  0  0  0  0
    3.0602   -1.2095   -0.0906 H   0  0  0  0  0
    2.7431   -0.8870   -1.8550 H   0  0  0  0  0
    1.2567    2.9113    0.0287 H   0  0  0  0  0
    2.7521    4.8764    0.1207 H   0  0  0  0  0
    5.1678    4.6300   -0.3310 H   0  0  0  0  0
    4.6219    0.4172   -0.9903 H   0  0  0  0  0
    6.9666    2.8820   -1.8235 H   0  0  0  0  0
    6.8913    2.8895    1.2563 H   0  0  0  0  0
    8.4020    3.1456    0.0891 H   0  0  0  0  0
    6.5892    0.6824    0.4643 H   0  0  0  0  0
    9.0585    1.4661   -1.4134 H   0  0  0  0  0
    8.0249    0.0059   -1.6260 H   0  0  0  0  0
    9.7426    0.6122    0.7216 H   0  0  0  0  0
   10.0603   -0.5071   -0.5100 H   0  0  0  0  0
    1.8272   -1.7024    2.2303 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 21  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL493129

>  <PubChem CID>
44572805

>  <Formula>
C11H16ClNO

>  <Molecular Weight>
213.705000

>  <IUPAC Name>
[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]methanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=CC(=C1)C2CC2CN.Cl

>  <Isomeric SMILES>
COC1=CC=CC(=C1)[C@H]2C[C@@H]2CN.Cl

>  <InChI Std. ID>
InChI=1S/C11H15NO.ClH/c1-13-10-4-2-3-8(5-10)11-6-9(11)7-12;/h2-5,9,11H,6-7,12H2,1H3;1H/t9-,11-;/m1./s1

>  <InChI Key>
ABWWRNPKXWVLTE-FOKYBFFNSA-N

