
 fluvoxamine

 43 43  0  0  0  0  0  0  0  0999 V2000
    5.2965   -1.2057    4.7529 C   0  0  0  0  0
    5.4117   -0.8151    3.3912 O   0  0  0  0  0
    5.8811    0.5264    3.2647 C   0  0  0  0  0
    5.9708    0.8575    1.7798 C   0  0  0  0  0
    6.4910    2.2730    1.5401 C   0  0  0  0  0
    6.6148    2.5699    0.0453 C   0  0  0  0  0
    7.1383    3.9860   -0.1708 C   0  0  0  0  0
    6.3725    5.0335   -0.2804 N   0  0  0  0  0
    5.0117    4.7115   -0.1999 O   0  0  0  0  0
    4.2443    5.8638   -0.5656 C   0  0  0  0  0
    4.0837    5.9193   -2.0875 C   0  0  0  0  0
    3.2357    7.0285   -2.5305 N   0  0  0  0  0
    8.6165    4.2053   -0.2043 C   0  0  0  0  0
    9.1290    5.3809    0.3598 C   0  0  0  0  0
   10.5024    5.6377    0.3370 C   0  0  0  0  0
   11.3850    4.7266   -0.2594 C   0  0  0  0  0
   10.8639    3.5537   -0.8297 C   0  0  0  0  0
    9.4891    3.2941   -0.8048 C   0  0  0  0  0
   12.8706    4.9933   -0.3079 C   0  0  0  0  0
   13.5925    4.0206    0.3148 F   0  0  0  0  0
   13.3463    5.0531   -1.5825 F   0  0  0  0  0
   13.2358    6.1649    0.2829 F   0  0  0  0  0
    4.9400   -2.2389    4.7858 H   0  0  0  0  0
    4.5742   -0.5700    5.2740 H   0  0  0  0  0
    6.2703   -1.1565    5.2498 H   0  0  0  0  0
    6.8682    0.6131    3.7331 H   0  0  0  0  0
    5.1851    1.2086    3.7657 H   0  0  0  0  0
    4.9819    0.7354    1.3203 H   0  0  0  0  0
    6.6229    0.1260    1.2859 H   0  0  0  0  0
    7.4697    2.3926    2.0218 H   0  0  0  0  0
    5.8191    3.0010    2.0116 H   0  0  0  0  0
    5.6471    2.4492   -0.4535 H   0  0  0  0  0
    7.2769    1.8354   -0.4189 H   0  0  0  0  0
    4.7091    6.7775   -0.1742 H   0  0  0  0  0
    3.2641    5.7620   -0.0873 H   0  0  0  0  0
    3.6606    4.9732   -2.4452 H   0  0  0  0  0
    5.0683    6.0096   -2.5594 H   0  0  0  0  0
    2.2886    6.8977   -2.1779 H   0  0  0  0  0
    3.1668    7.0059   -3.5476 H   0  0  0  0  0
    8.4589    6.1047    0.8209 H   0  0  0  0  0
   10.8765    6.5590    0.7821 H   0  0  0  0  0
   11.5324    2.8392   -1.3097 H   0  0  0  0  0
    9.1245    2.3929   -1.2883 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
M  END

>  <Chemical Name>
fluvoxamine

>  <PubChem CID>
5324346

>  <Formula>
C15H21F3N2O2

>  <Molecular Weight>
318.340000

>  <IUPAC Name>
2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F

>  <Isomeric SMILES>
COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

>  <InChI Key>
CJOFXWAVKWHTFT-XSFVSMFZSA-N

