
 [125I]SD6

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.3608   -0.2093   -0.8235 C   0  0  0  0  0
    4.6820    0.1800   -0.4627 O   0  0  0  0  0
    4.8669    1.4946   -0.1254 C   0  0  0  0  0
    3.8768    2.4820   -0.1366 C   0  0  0  0  0
    4.2067    3.8117    0.2098 C   0  0  0  0  0
    5.5164    4.0997    0.5872 C   0  0  0  0  0
    6.5215    3.1277    0.6201 C   0  0  0  0  0
    6.1696    1.8247    0.2488 C   0  0  0  0  0
    5.5615    5.4376    0.8987 N   0  0  0  0  0
    4.3332    6.0122    0.7066 C   0  0  0  0  0
    3.4605    5.0336    0.2711 C   0  0  0  0  0
    2.0080    5.2029   -0.0582 C   0  0  0  0  0
    1.7525    5.6981   -1.4874 C   0  0  0  0  0
    2.3145    4.8643   -2.5380 N   0  0  0  0  0
    1.8346    3.6000   -2.8120 C   0  0  0  0  0
    0.9041    3.0950   -2.1876 O   0  0  0  0  0
    2.5787    2.8794   -3.9244 C   0  0  0  0  0
    1.1928    2.2803   -5.4114 I   0  0  0  0  0
    3.3801   -1.2775   -1.0608 H   0  0  0  0  0
    3.0227    0.3221   -1.7191 H   0  0  0  0  0
    2.6646   -0.0647    0.0092 H   0  0  0  0  0
    2.8507    2.2594   -0.4027 H   0  0  0  0  0
    7.5365    3.3647    0.9204 H   0  0  0  0  0
    6.9313    1.0473    0.2603 H   0  0  0  0  0
    6.3865    5.9209    1.2276 H   0  0  0  0  0
    4.1824    7.0651    0.9056 H   0  0  0  0  0
    1.5665    5.9220    0.6436 H   0  0  0  0  0
    1.4820    4.2565    0.1118 H   0  0  0  0  0
    2.1758    6.6993   -1.6246 H   0  0  0  0  0
    0.6718    5.7649   -1.6569 H   0  0  0  0  0
    3.1981    5.1568   -2.9362 H   0  0  0  0  0
    3.1001    2.0223   -3.4873 H   0  0  0  0  0
    3.3386    3.5323   -4.3665 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  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
[125I]SD6

>  <PubChem CID>
86277836

>  <Formula>
C13H15IN2O2

>  <Molecular Weight>
356.180000

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

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)NC=C2CCNC(=O)CI

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)NC=C2CCNC(=O)C[125I]

>  <InChI Std. ID>
InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2

>  <InChI Key>
BCFPPJOYYKSYLA-XSBOKVBDSA-N

