
 SMR000103373

 35 36  0  0  0  0  0  0  0  0999 V2000
    7.3070    1.6049    0.9291 C   0  0  0  0  0
    7.3787    1.9380   -0.4982 N   0  0  0  0  0
    7.9903    0.8261   -1.2317 C   0  0  0  0  0
    6.0374    2.2191   -1.0546 C   0  0  0  0  0
    5.3697    3.4174   -0.3868 C   0  0  0  0  0
    4.3223    3.2783    0.2496 O   0  0  0  0  0
    5.9666    4.7842   -0.5155 C   0  0  0  0  0
    5.3536    5.8429    0.1631 C   0  0  0  0  0
    5.8856    7.1367    0.0995 C   0  0  0  0  0
    7.0412    7.4155   -0.6505 C   0  0  0  0  0
    7.6342    6.3440   -1.3404 C   0  0  0  0  0
    7.1099    5.0452   -1.2751 C   0  0  0  0  0
    7.6155    8.7779   -0.7021 C   0  0  0  0  0
    9.0066    8.9849   -0.6554 C   0  0  0  0  0
    9.5541   10.2710   -0.7036 C   0  0  0  0  0
    8.7203   11.3811   -0.7912 C   0  0  0  0  0
    7.3402   11.2049   -0.8337 C   0  0  0  0  0
    6.7958    9.9166   -0.7936 C   0  0  0  0  0
    6.9451    2.4551    1.5158 H   0  0  0  0  0
    8.3065    1.3736    1.3167 H   0  0  0  0  0
    6.6560    0.7448    1.1223 H   0  0  0  0  0
    9.0077    0.6400   -0.8697 H   0  0  0  0  0
    8.0769    1.0688   -2.2970 H   0  0  0  0  0
    7.4137   -0.1016   -1.1348 H   0  0  0  0  0
    5.3760    1.3510   -0.9359 H   0  0  0  0  0
    6.0927    2.4282   -2.1299 H   0  0  0  0  0
    4.4602    5.6683    0.7602 H   0  0  0  0  0
    5.3927    7.9241    0.6652 H   0  0  0  0  0
    8.5222    6.5083   -1.9475 H   0  0  0  0  0
    7.6245    4.2572   -1.8171 H   0  0  0  0  0
    9.6855    8.1404   -0.5648 H   0  0  0  0  0
   10.6325   10.4026   -0.6674 H   0  0  0  0  0
    9.1437   12.3809   -0.8248 H   0  0  0  0  0
    6.6836   12.0687   -0.9008 H   0  0  0  0  0
    5.7139    9.8131   -0.8463 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  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
SMR000103373

>  <PubChem CID>
768313

>  <Formula>
C16H17NO

>  <Molecular Weight>
239.318000

>  <IUPAC Name>
2-(dimethylamino)-1-(4-phenylphenyl)ethanone

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

>  <Isomeric SMILES>
CN(C)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C16H17NO/c1-17(2)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3

>  <InChI Key>
BNFLSPBWCHLHEZ-UHFFFAOYSA-N

