
 MLS002402777

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.9684    0.4455    0.7153 C   0  0  0  0  0
    2.3610    0.1300    0.4655 N   0  0  0  0  0
    3.2684    0.9780   -0.1395 C   0  0  0  0  0
    3.1408    2.2997   -0.6034 C   0  0  0  0  0
    4.2523    2.9082   -1.1943 C   0  0  0  0  0
    5.4523    2.2227   -1.3318 C   0  0  0  0  0
    5.5701    0.9077   -0.8735 C   0  0  0  0  0
    4.4690    0.2745   -0.2540 C   0  0  0  0  0
    4.2669   -1.0184    0.3247 C   0  0  0  0  0
    2.9641   -1.0701    0.8154 C   0  0  0  0  0
    2.3202   -2.1316    1.5604 C   0  0  0  0  0
    1.1313   -2.1576    1.8742 O   0  0  0  0  0
    5.2309   -2.1075    0.4336 C   0  0  0  0  0
    6.4754   -1.8718    1.0392 C   0  0  0  0  0
    7.3934   -2.9300    1.0891 C   0  0  0  0  0
    7.1097   -4.1972    0.5809 C   0  0  0  0  0
    5.8562   -4.4223   -0.0160 C   0  0  0  0  0
    4.9338   -3.3695   -0.0960 C   0  0  0  0  0
    8.2574   -5.0053    0.8067 C   0  0  0  0  0
    9.2068   -4.2229    1.4229 C   0  0  0  0  0
    8.6751   -2.9721    1.5901 N   0  0  0  0  0
    0.3492   -0.3077    0.2208 H   0  0  0  0  0
    0.7177    1.4259    0.3072 H   0  0  0  0  0
    0.8021    0.4513    1.7952 H   0  0  0  0  0
    2.2109    2.8513   -0.5114 H   0  0  0  0  0
    4.1726    3.9319   -1.5549 H   0  0  0  0  0
    6.3050    2.7080   -1.7998 H   0  0  0  0  0
    6.5111    0.3779   -0.9930 H   0  0  0  0  0
    2.9683   -2.9682    1.8688 H   0  0  0  0  0
    6.7253   -0.8970    1.4491 H   0  0  0  0  0
    5.6094   -5.3972   -0.4270 H   0  0  0  0  0
    3.9835   -3.5486   -0.5937 H   0  0  0  0  0
    8.3770   -6.0458    0.5363 H   0  0  0  0  0
   10.2127   -4.4470    1.7535 H   0  0  0  0  0
    9.1527   -2.1859    2.0120 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 10  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 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 21  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
MLS002402777

>  <PubChem CID>
44142267

>  <Formula>
C18H14N2O

>  <Molecular Weight>
274.323000

>  <IUPAC Name>
3-(1H-indol-6-yl)-1-methylindole-2-carbaldehyde

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1C2=CC=CC=C2C(=C1C=O)C3=CC4=C(C=C3)C=CN4

>  <Isomeric SMILES>
CN1C2=CC=CC=C2C(=C1C=O)C3=CC4=C(C=C3)C=CN4

>  <InChI Std. ID>
InChI=1S/C18H14N2O/c1-20-16-5-3-2-4-14(16)18(17(20)11-21)13-7-6-12-8-9-19-15(12)10-13/h2-11,19H,1H3

>  <InChI Key>
AAOUXFGDVFOFTO-UHFFFAOYSA-N

