
 CHEMBL272793

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.6791   -4.1329    2.8045 C   0  0  0  0  0
    3.1729   -2.8310    2.8433 C   0  0  0  0  0
    4.3587   -2.5105    2.1785 C   0  0  0  0  0
    5.0682   -3.4897    1.4686 C   0  0  0  0  0
    4.5579   -4.7981    1.4390 C   0  0  0  0  0
    3.3713   -5.1170    2.1027 C   0  0  0  0  0
    6.3451   -3.1821    0.7114 C   0  0  0  0  0
    6.7638   -1.8344    0.9174 O   0  0  0  0  0
    7.8368   -1.3728    0.2039 C   0  0  0  0  0
    8.1667   -0.0150    0.3901 C   0  0  0  0  0
    9.2674    0.5274   -0.3047 C   0  0  0  0  0
   10.0144   -0.2633   -1.1722 C   0  0  0  0  0
    9.6871   -1.6024   -1.3544 C   0  0  0  0  0
    8.6034   -2.1569   -0.6668 C   0  0  0  0  0
   11.3541    0.4069   -2.0175 Cl  0  0  0  0  0
    7.3981    0.8743    1.3524 C   0  0  0  0  0
    6.8225    2.0897    0.7173 C   0  0  0  0  0
    5.9177    2.3000   -0.3008 C   0  0  0  0  0
    5.7707    3.7023   -0.4145 C   0  0  0  0  0
    6.5886    4.2787    0.5443 C   0  0  0  0  0
    7.2350    3.2811    1.2327 O   0  0  0  0  0
    6.7351    5.7407    0.7871 C   0  0  0  0  0
    7.5296    6.0977    1.7102 O   0  0  0  0  0
    6.0461    6.5128    0.0459 O   0  0  0  0  0
    1.7541   -4.3771    3.3193 H   0  0  0  0  0
    2.6354   -2.0583    3.3875 H   0  0  0  0  0
    4.7189   -1.4842    2.2191 H   0  0  0  0  0
    5.0830   -5.5776    0.8916 H   0  0  0  0  0
    2.9853   -6.1316    2.0689 H   0  0  0  0  0
    6.1455   -3.3538   -0.3533 H   0  0  0  0  0
    7.1284   -3.8606    1.0709 H   0  0  0  0  0
    9.5302    1.5761   -0.1631 H   0  0  0  0  0
   10.2723   -2.2223   -2.0279 H   0  0  0  0  0
    8.3892   -3.2071   -0.8327 H   0  0  0  0  0
    8.0818    1.1558    2.1639 H   0  0  0  0  0
    6.5781    0.3307    1.8337 H   0  0  0  0  0
    5.4263    1.5376   -0.8866 H   0  0  0  0  0
    5.1462    4.2594   -1.0999 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
M  CHG  1  24  -1
M  END

>  <Chemical Name>
CHEMBL272793

>  <PubChem CID>
59845881

>  <Formula>
C19H14ClO4-

>  <Molecular Weight>
341.767000

>  <IUPAC Name>
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-carboxylate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CC=C(O3)C(=O)[O-]

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CC=C(O3)C(=O)[O-]

>  <InChI Std. ID>
InChI=1S/C19H15ClO4/c20-15-6-8-17(23-12-13-4-2-1-3-5-13)14(10-15)11-16-7-9-18(24-16)19(21)22/h1-10H,11-12H2,(H,21,22)/p-1

>  <InChI Key>
BBYQSEMSUIWGHR-UHFFFAOYSA-M

