
 CHEMBL99000

 36 37  0  0  0  0  0  0  0  0999 V2000
    5.6211   -0.9107   -4.3367 C   0  0  0  0  0
    6.3137   -0.3659   -3.1162 C   0  0  0  0  0
    7.5359   -0.3685   -3.0066 O   0  0  0  0  0
    5.4621    0.1151   -2.1480 N   0  0  0  0  0
    5.9610    0.7107   -0.9244 C   0  0  0  0  0
    6.3272    2.1776   -1.1261 C   0  0  0  0  0
    6.9018    2.7867    0.1536 C   0  0  0  0  0
    7.2398    4.2299   -0.0251 C   0  0  0  0  0
    6.7305    5.3604    0.5815 C   0  0  0  0  0
    7.3959    6.4924    0.0339 C   0  0  0  0  0
    8.3116    6.0162   -0.9013 C   0  0  0  0  0
    8.2128    4.6438   -0.9056 N   0  0  0  0  0
    9.1349    6.8636   -1.6492 C   0  0  0  0  0
    9.0260    8.2421   -1.4240 C   0  0  0  0  0
    8.1319    8.7517   -0.4822 C   0  0  0  0  0
    7.3048    7.8821    0.2421 C   0  0  0  0  0
    7.9561   10.0789   -0.1886 O   0  0  0  0  0
    8.9615   10.9700   -0.6554 C   0  0  0  0  0
    4.5454   -0.7156   -4.3165 H   0  0  0  0  0
    5.7812   -1.9912   -4.3855 H   0  0  0  0  0
    6.0404   -0.4344   -5.2272 H   0  0  0  0  0
    4.4727    0.1840   -2.3459 H   0  0  0  0  0
    6.8333    0.1416   -0.5851 H   0  0  0  0  0
    5.1726    0.6104   -0.1716 H   0  0  0  0  0
    5.4392    2.7386   -1.4462 H   0  0  0  0  0
    7.0547    2.2669   -1.9436 H   0  0  0  0  0
    7.8030    2.2408    0.4585 H   0  0  0  0  0
    6.1754    2.6812    0.9689 H   0  0  0  0  0
    5.9552    5.3785    1.3367 H   0  0  0  0  0
    8.7653    4.0335   -1.4895 H   0  0  0  0  0
    9.8336    6.4735   -2.3820 H   0  0  0  0  0
    9.6581    8.8967   -2.0159 H   0  0  0  0  0
    6.6018    8.2810    0.9668 H   0  0  0  0  0
    8.7486   11.9598   -0.2412 H   0  0  0  0  0
    8.9370   11.0543   -1.7462 H   0  0  0  0  0
    9.9537   10.6682   -0.3038 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL99000

>  <PubChem CID>
10658090

>  <Formula>
C14H18N2O2

>  <Molecular Weight>
246.310000

>  <IUPAC Name>
N-[3-(5-methoxy-1H-indol-2-yl)propyl]acetamide

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCCC1=CC2=C(N1)C=CC(=C2)OC

>  <Isomeric SMILES>
CC(=O)NCCCC1=CC2=C(N1)C=CC(=C2)OC

>  <InChI Std. ID>
InChI=1S/C14H18N2O2/c1-10(17)15-7-3-4-12-8-11-9-13(18-2)5-6-14(11)16-12/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)

>  <InChI Key>
CKANAWZKQSCHLU-UHFFFAOYSA-N

