
 CHEMBL285010

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.9474    0.5599   -0.3484 C   0  0  0  0  0
    2.3483    0.4404   -0.1375 O   0  0  0  0  0
    3.0891    1.5952   -0.1491 C   0  0  0  0  0
    2.5715    2.8688   -0.4095 C   0  0  0  0  0
    3.4071    3.9866   -0.3987 C   0  0  0  0  0
    4.7612    3.8396   -0.1158 C   0  0  0  0  0
    5.2834    2.5769    0.1595 C   0  0  0  0  0
    4.4642    1.4421    0.1193 C   0  0  0  0  0
    5.0479    0.0776    0.3912 C   0  0  0  0  0
    6.5878    0.0764    0.3039 C   0  0  0  0  0
    7.0647    1.3293    1.0612 C   0  0  0  0  0
    6.6241    2.5380    0.4305 O   0  0  0  0  0
    7.1711   -1.1795    0.8310 N   0  0  0  0  0
    6.7173   -2.3743    0.1098 C   0  0  0  0  0
    7.6803   -3.4443    0.5921 C   0  0  0  0  0
    8.9828   -2.7028    0.8516 C   0  0  0  0  0
    8.6350   -1.2239    0.7352 C   0  0  0  0  0
    0.5138   -0.4425   -0.2837 H   0  0  0  0  0
    0.7310    0.9511   -1.3477 H   0  0  0  0  0
    0.4813    1.1746    0.4286 H   0  0  0  0  0
    1.5213    3.0262   -0.6283 H   0  0  0  0  0
    3.0011    4.9724   -0.6064 H   0  0  0  0  0
    5.4128    4.7095   -0.1000 H   0  0  0  0  0
    4.7253   -0.2363    1.3925 H   0  0  0  0  0
    4.6471   -0.6381   -0.3363 H   0  0  0  0  0
    6.8637    0.1963   -0.7546 H   0  0  0  0  0
    8.1575    1.3857    1.0701 H   0  0  0  0  0
    6.7349    1.3258    2.1083 H   0  0  0  0  0
    6.8077   -2.2487   -0.9768 H   0  0  0  0  0
    5.6851   -2.6463    0.3509 H   0  0  0  0  0
    7.3184   -3.8919    1.5256 H   0  0  0  0  0
    7.8032   -4.2481   -0.1400 H   0  0  0  0  0
    9.3644   -2.9468    1.8496 H   0  0  0  0  0
    9.7503   -2.9806    0.1210 H   0  0  0  0  0
    9.1169   -0.6512    1.5335 H   0  0  0  0  0
    8.9882   -0.8416   -0.2307 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  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL285010

>  <PubChem CID>
10014217

>  <Formula>
C14H19NO2

>  <Molecular Weight>
233.311000

>  <IUPAC Name>
1-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC2=C1CC(CO2)N3CCCC3

>  <Isomeric SMILES>
COC1=CC=CC2=C1CC(CO2)N3CCCC3

>  <InChI Std. ID>
InChI=1S/C14H19NO2/c1-16-13-5-4-6-14-12(13)9-11(10-17-14)15-7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3

>  <InChI Key>
HDUPNKAXLWKEFD-UHFFFAOYSA-N

