
 CHEMBL2387536

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.5687   -0.2733    0.0861 C   0  0  0  0  0
    2.0631   -0.1130   -0.0154 C   0  0  0  0  0
    2.9061   -1.2039    0.2587 C   0  0  0  0  0
    4.2991   -1.1256    0.1903 C   0  0  0  0  0
    4.8923    0.1166   -0.1027 C   0  0  0  0  0
    4.0569    1.2017   -0.4551 C   0  0  0  0  0
    2.6492    1.0826   -0.4768 C   0  0  0  0  0
    1.7887    2.2088   -0.9906 C   0  0  0  0  0
    4.6778    2.3425   -0.9100 O   0  0  0  0  0
    4.4544    3.4770   -0.0721 C   0  0  0  0  0
    6.3904    0.2886   -0.1200 C   0  0  0  0  0
    5.0570   -2.3692    0.3439 C   0  0  0  0  0
    4.4523   -3.5492    0.5535 C   0  0  0  0  0
    2.9796   -3.6287    0.6881 C   0  0  0  0  0
    2.3958   -4.6895    0.8730 O   0  0  0  0  0
    2.2831   -2.4359    0.5678 O   0  0  0  0  0
    5.1982   -4.8575    0.5408 C   0  0  0  0  0
    5.6122   -5.3539    1.9069 C   0  0  0  0  0
    6.8745   -5.0298    2.4296 C   0  0  0  0  0
    7.2653   -5.5117    3.6795 C   0  0  0  0  0
    6.3941   -6.3099    4.4112 C   0  0  0  0  0
    5.1367   -6.6332    3.9178 C   0  0  0  0  0
    4.7448   -6.1552    2.6670 C   0  0  0  0  0
    6.7741   -6.7757    5.6076 F   0  0  0  0  0
    0.0974    0.6533    0.4305 H   0  0  0  0  0
    0.2912   -1.0373    0.8197 H   0  0  0  0  0
    0.1536   -0.5523   -0.8868 H   0  0  0  0  0
    2.2980    2.7671   -1.7830 H   0  0  0  0  0
    1.5286    2.8898   -0.1750 H   0  0  0  0  0
    0.8672    1.8352   -1.4482 H   0  0  0  0  0
    5.4237    3.9352    0.1432 H   0  0  0  0  0
    3.9676    3.2365    0.8789 H   0  0  0  0  0
    3.8523    4.2092   -0.6196 H   0  0  0  0  0
    6.6858    1.3338    0.0195 H   0  0  0  0  0
    6.7999   -0.0689   -1.0691 H   0  0  0  0  0
    6.8561   -0.2573    0.7080 H   0  0  0  0  0
    6.1327   -2.3351    0.2048 H   0  0  0  0  0
    6.0984   -4.7635   -0.0833 H   0  0  0  0  0
    4.6092   -5.6328    0.0328 H   0  0  0  0  0
    7.5654   -4.4114    1.8610 H   0  0  0  0  0
    8.2433   -5.2747    4.0859 H   0  0  0  0  0
    4.4706   -7.2571    4.5054 H   0  0  0  0  0
    3.7592   -6.4178    2.2845 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3 16  1  0  0  0
  3  4  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2387536

>  <PubChem CID>
71682642

>  <Formula>
C20H19FO3

>  <Molecular Weight>
326.367000

>  <IUPAC Name>
3-[(4-fluorophenyl)methyl]-6-methoxy-5,7,8-trimethylchromen-2-one

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C2C(=C(C(=C1C)OC)C)C=C(C(=O)O2)CC3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC1=C2C(=C(C(=C1C)OC)C)C=C(C(=O)O2)CC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C20H19FO3/c1-11-12(2)19-17(13(3)18(11)23-4)10-15(20(22)24-19)9-14-5-7-16(21)8-6-14/h5-8,10H,9H2,1-4H3

>  <InChI Key>
SFAFBMCTCOQXBE-UHFFFAOYSA-N

