
 CHEMBL2260626

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.1348   -1.7058    2.6636 C   0  0  0  0  0
    0.8432   -2.7920    2.1566 C   0  0  0  0  0
    1.5902   -2.6544    0.9854 C   0  0  0  0  0
    1.6413   -1.4270    0.3091 C   0  0  0  0  0
    0.9180   -0.3429    0.8264 C   0  0  0  0  0
    0.1717   -0.4819    1.9987 C   0  0  0  0  0
    2.4279   -1.2859   -0.9767 C   0  0  0  0  0
    3.9218   -1.5364   -0.8063 C   0  0  0  0  0
    4.5229   -2.6654   -1.0727 N   0  0  0  0  0
    3.6410   -3.6384   -1.5539 O   0  0  0  0  0
    4.7720   -0.4599   -0.3247 C   0  0  0  0  0
    4.4898    0.8556    0.0033 C   0  0  0  0  0
    5.7024    1.4981    0.3821 C   0  0  0  0  0
    6.0346    2.8050    0.7869 C   0  0  0  0  0
    7.3677    3.1101    1.0881 C   0  0  0  0  0
    8.3587    2.1349    0.9940 C   0  0  0  0  0
    8.0506    0.8311    0.5964 C   0  0  0  0  0
    6.7144    0.5454    0.2952 C   0  0  0  0  0
    6.1263   -0.6233   -0.1206 N   0  0  0  0  0
   -0.4476   -1.8137    3.5743 H   0  0  0  0  0
    0.8135   -3.7490    2.6702 H   0  0  0  0  0
    2.1300   -3.5172    0.6018 H   0  0  0  0  0
    0.9250    0.6189    0.3196 H   0  0  0  0  0
   -0.3843    0.3654    2.3919 H   0  0  0  0  0
    2.2911   -0.2806   -1.3945 H   0  0  0  0  0
    2.0005   -1.9643   -1.7234 H   0  0  0  0  0
    4.2297   -4.4011   -1.7083 H   0  0  0  0  0
    3.5176    1.3269   -0.0353 H   0  0  0  0  0
    5.2690    3.5709    0.8624 H   0  0  0  0  0
    7.6303    4.1187    1.3982 H   0  0  0  0  0
    9.3880    2.3915    1.2331 H   0  0  0  0  0
    8.8240    0.0729    0.5233 H   0  0  0  0  0
    6.6094   -1.4981   -0.2792 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 11  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 27  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2260626

>  <PubChem CID>
136224301

>  <Formula>
C16H14N2O

>  <Molecular Weight>
250.301000

>  <IUPAC Name>
(NE)-N-[1-(1H-indol-2-yl)-2-phenylethylidene]hydroxylamine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(=NO)C2=CC3=CC=CC=C3N2

>  <Isomeric SMILES>
C1=CC=C(C=C1)C/C(=N\O)/C2=CC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C16H14N2O/c19-18-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)17-15/h1-9,11,17,19H,10H2/b18-16+

>  <InChI Key>
CKXWOHJWALENJF-FBMGVBCBSA-N

