
 ACMC-20b84v

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.1132   -0.0662    0.0328 C   0  0  0  0  0
    2.6164    0.1234   -0.0286 C   0  0  0  0  0
    3.0900   -1.0226    0.8400 C   0  0  0  0  0
    2.2056   -2.1546    0.3451 C   0  0  0  0  0
    0.9036   -1.5312   -0.0020 N   0  0  0  0  0
    4.4858   -1.2157    0.6447 O   0  0  0  0  0
    5.1352   -0.0016    0.7671 C   0  0  0  0  0
    4.4643    1.2371    0.7139 C   0  0  0  0  0
    3.1041    1.3525    0.4971 O   0  0  0  0  0
    5.1710    2.4274    0.8822 C   0  0  0  0  0
    6.5549    2.3943    1.0692 C   0  0  0  0  0
    7.2287    1.1708    1.0913 C   0  0  0  0  0
    6.5166   -0.0170    0.9404 C   0  0  0  0  0
    7.1827   -1.1808    0.9758 F   0  0  0  0  0
    0.6040    0.4330   -0.7966 H   0  0  0  0  0
    0.7002    0.3429    0.9613 H   0  0  0  0  0
    2.9635    0.0216   -1.0689 H   0  0  0  0  0
    2.9005   -0.8355    1.9079 H   0  0  0  0  0
    2.0708   -2.9243    1.1125 H   0  0  0  0  0
    2.6417   -2.6403   -0.5364 H   0  0  0  0  0
    0.6478   -1.8189   -0.9486 H   0  0  0  0  0
    4.6471    3.3795    0.8538 H   0  0  0  0  0
    7.1088    3.3220    1.1917 H   0  0  0  0  0
    8.3047    1.1339    1.2303 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
M  END

>  <Chemical Name>
ACMC-20b84v

>  <PubChem CID>
10219795

>  <Formula>
C10H10FNO2

>  <Molecular Weight>
195.193000

>  <IUPAC Name>
5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2C(CN1)OC3=C(O2)C=CC=C3F

>  <Isomeric SMILES>
C1C2C(CN1)OC3=C(O2)C=CC=C3F

>  <InChI Std. ID>
InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2

>  <InChI Key>
XSOUHEXVEOQRKJ-UHFFFAOYSA-N

