
 SIB 1893

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.1434   -2.4821    0.3551 C   0  0  0  0  0
    1.3615   -1.6100    0.2936 C   0  0  0  0  0
    1.2340   -0.2274    0.3698 C   0  0  0  0  0
    2.3827    0.5526    0.3113 C   0  0  0  0  0
    3.6211   -0.0678    0.1791 C   0  0  0  0  0
    3.6721   -1.4559    0.1079 C   0  0  0  0  0
    2.5601   -2.2270    0.1623 N   0  0  0  0  0
    4.9700   -2.1363   -0.0252 C   0  0  0  0  0
    5.1124   -3.4684   -0.1290 C   0  0  0  0  0
    6.4053   -4.1605   -0.2397 C   0  0  0  0  0
    7.5006   -3.6120   -0.9198 C   0  0  0  0  0
    8.7043   -4.3159   -1.0170 C   0  0  0  0  0
    8.8217   -5.5819   -0.4473 C   0  0  0  0  0
    7.7346   -6.1474    0.2141 C   0  0  0  0  0
    6.5319   -5.4425    0.3125 C   0  0  0  0  0
    0.4184   -3.5401    0.3021 H   0  0  0  0  0
   -0.5228   -2.2597   -0.4840 H   0  0  0  0  0
   -0.3930   -2.3163    1.2944 H   0  0  0  0  0
    0.2588    0.2369    0.4746 H   0  0  0  0  0
    2.3150    1.6349    0.3692 H   0  0  0  0  0
    4.5245    0.5307    0.1338 H   0  0  0  0  0
    5.8410   -1.4896   -0.0177 H   0  0  0  0  0
    4.2333   -4.1107   -0.1075 H   0  0  0  0  0
    7.4286   -2.6365   -1.3924 H   0  0  0  0  0
    9.5478   -3.8768   -1.5438 H   0  0  0  0  0
    9.7573   -6.1294   -0.5244 H   0  0  0  0  0
    7.8193   -7.1377    0.6537 H   0  0  0  0  0
    5.6935   -5.9012    0.8334 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
M  END

>  <Chemical Name>
SIB 1893

>  <PubChem CID>
5311432

>  <Formula>
C14H13N

>  <Molecular Weight>
195.265000

>  <IUPAC Name>
2-methyl-6-[(E)-2-phenylethenyl]pyridine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC=CC(=N1)C=CC2=CC=CC=C2

>  <Isomeric SMILES>
CC1=CC=CC(=N1)/C=C/C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+

>  <InChI Key>
SISOFUCTXZKSOQ-ZHACJKMWSA-N

