
 SIB 1757

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0796   -0.1299   -0.0552 C   0  0  0  0  0
    2.5603    0.0821    0.0638 C   0  0  0  0  0
    3.3431   -1.0230    0.1492 N   0  0  0  0  0
    4.6813   -0.8361    0.2493 C   0  0  0  0  0
    5.2608    0.4384    0.2923 C   0  0  0  0  0
    4.4483    1.5565    0.2066 C   0  0  0  0  0
    3.0741    1.3784    0.0880 C   0  0  0  0  0
    6.6086    0.6330    0.4260 O   0  0  0  0  0
    5.4463   -2.0127    0.3922 N   0  0  0  0  0
    6.3401   -2.0843   -0.4806 N   0  0  0  0  0
    7.1247   -3.2530   -0.3641 C   0  0  0  0  0
    8.4427   -3.2045   -0.8388 C   0  0  0  0  0
    9.2705   -4.3288   -0.7849 C   0  0  0  0  0
    8.7862   -5.5245   -0.2579 C   0  0  0  0  0
    7.4767   -5.5940    0.2130 C   0  0  0  0  0
    6.6511   -4.4674    0.1558 C   0  0  0  0  0
    0.8363   -1.1969   -0.0485 H   0  0  0  0  0
    0.7108    0.2987   -0.9917 H   0  0  0  0  0
    0.5619    0.3429    0.7847 H   0  0  0  0  0
    4.8790    2.5526    0.2364 H   0  0  0  0  0
    2.4157    2.2391    0.0212 H   0  0  0  0  0
    7.0128   -0.2574    0.4147 H   0  0  0  0  0
    8.8286   -2.2803   -1.2619 H   0  0  0  0  0
   10.2895   -4.2728   -1.1592 H   0  0  0  0  0
    9.4259   -6.4023   -0.2191 H   0  0  0  0  0
    7.0924   -6.5264    0.6191 H   0  0  0  0  0
    5.6275   -4.5449    0.5140 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
M  END

>  <Chemical Name>
SIB 1757

>  <PubChem CID>
5218788

>  <Formula>
C12H11N3O

>  <Molecular Weight>
213.240000

>  <IUPAC Name>
6-methyl-2-phenyldiazenylpyridin-3-ol

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3

>  <InChI Key>
LOCPVWIREQIGNQ-UHFFFAOYSA-N

