
 6-CHLOROMELATONIN

 33 34  0  0  0  0  0  0  0  0999 V2000
    6.2087   -0.5753    3.1332 C   0  0  0  0  0
    5.4359    0.2477    2.1371 C   0  0  0  0  0
    4.5546   -0.2385    1.4361 O   0  0  0  0  0
    5.8053    1.5707    2.0873 N   0  0  0  0  0
    5.2270    2.4879    1.1198 C   0  0  0  0  0
    5.8355    2.3580   -0.2818 C   0  0  0  0  0
    7.2982    2.6924   -0.3114 C   0  0  0  0  0
    7.8503    3.9517   -0.4443 C   0  0  0  0  0
    9.2131    3.8324   -0.3994 N   0  0  0  0  0
    9.5679    2.5146   -0.2295 C   0  0  0  0  0
   10.8328    1.9300   -0.1016 C   0  0  0  0  0
   10.8914    0.5391    0.0572 C   0  0  0  0  0
    9.7317   -0.2465    0.0625 C   0  0  0  0  0
    8.4764    0.3691   -0.0512 C   0  0  0  0  0
    8.3894    1.7716   -0.1970 C   0  0  0  0  0
    9.8809   -1.6002    0.2377 O   0  0  0  0  0
    8.9175   -2.4125   -0.4259 C   0  0  0  0  0
   12.4588   -0.1778    0.2259 Cl  0  0  0  0  0
    7.0038    0.0032    3.6111 H   0  0  0  0  0
    6.6628   -1.4251    2.6164 H   0  0  0  0  0
    5.5244   -0.9347    3.9062 H   0  0  0  0  0
    6.6758    1.8486    2.5230 H   0  0  0  0  0
    5.3747    3.4993    1.5147 H   0  0  0  0  0
    4.1489    2.3003    1.0663 H   0  0  0  0  0
    5.3028    3.0342   -0.9619 H   0  0  0  0  0
    5.6804    1.3439   -0.6689 H   0  0  0  0  0
    7.3880    4.9229   -0.5647 H   0  0  0  0  0
    9.8681    4.5991   -0.4729 H   0  0  0  0  0
   11.7366    2.5303   -0.1216 H   0  0  0  0  0
    7.5590   -0.2074   -0.0148 H   0  0  0  0  0
    9.3001   -3.4378   -0.4407 H   0  0  0  0  0
    8.7694   -2.0962   -1.4647 H   0  0  0  0  0
    7.9697   -2.4200    0.1216 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 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 16 17  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
6-CHLOROMELATONIN

>  <PubChem CID>
1858

>  <Formula>
C13H15ClN2O2

>  <Molecular Weight>
266.725000

>  <IUPAC Name>
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
2.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl

>  <InChI Std. ID>
InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)

>  <InChI Key>
LUINDDOUWHRIPW-UHFFFAOYSA-N

