12982374
  -OEChem-05112409342D

 28 30  0     0  0  0  0  0  0999 V2000
    6.2619    1.0591    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -2.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279    0.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -1.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12982374

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
314

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHwAAAAAADAzBngw8wLMMGACoA7R3RACCgCA3AiAI2CG4ZNgIIPLAlbGEIQhggADIyYcYicCeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-fluoroindolizin-3-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(2-fluoro-3-indolizinyl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-fluoroindolizin-3-yl)-phenylmethanone

> <PUBCHEM_IUPAC_NAME>
(2-fluoroindolizin-3-yl)-phenylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-fluoranylindolizin-3-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-fluoroindolizin-3-yl)-phenyl-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10FNO/c16-13-10-12-8-4-5-9-17(12)14(13)15(18)11-6-2-1-3-7-11/h1-10H

> <PUBCHEM_IUPAC_INCHIKEY>
AUIYVSLMNQSYAQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
239.074642105

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10FNO

> <PUBCHEM_MOLECULAR_WEIGHT>
239.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)F

> <PUBCHEM_CACTVS_TPSA>
21.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
239.074642105

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
11  15  8
12  13  8
14  16  8
15  17  8
16  18  8
17  18  8
3  4  8
3  5  8
3  9  8
4  6  8
5  10  8
5  7  8
6  7  8
9  12  8

$$$$