54676591
  -OEChem-04262407472D

 27 30  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -2.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    0.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900    0.2772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2990    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7061   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320   -0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7578   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7643    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097   -1.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151   -1.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4651   -1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3198    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059    0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6402   -2.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444    2.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4536    2.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072   -1.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9661    3.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6319    3.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -3.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 13 18  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 15 19  1  0  0  0  0
 15 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54676591

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
461

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAEAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFiB/AAAHgIACAAADA6BngAwwPMMEgCoAyVyVACCgCAhIiAImCAwbNhIJuLAkZHEcAhmxAHI2QeQwPAOgAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-chloro-4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-chloro-4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-chloro-4-hydroxy-1-azatetracyclo[7.6.1.0<SUP>5,16</SUP>.0<SUP>10,15</SUP>]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_NAME>
3-chloro-4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-chloranyl-4-oxidanyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-chloro-4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H8ClNO2/c16-12-14(18)10-6-3-5-9-8-4-1-2-7-11(8)17(13(9)10)15(12)19/h1-7,18H

> <PUBCHEM_IUPAC_INCHIKEY>
AKAADVKZLLNTSP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
269.0243562

> <PUBCHEM_MOLECULAR_FORMULA>
C15H8ClNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
269.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=C4N2C(=O)C(=C(C4=CC=C3)O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=C4N2C(=O)C(=C(C4=CC=C3)O)Cl

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.0243562

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  16  8
11  17  8
12  16  8
13  18  8
14  17  8
15  19  8
18  19  8
4  10  8
4  5  8
4  7  8
5  6  8
5  9  8
6  11  8
6  8  8
7  13  8
7  8  8
8  15  8
9  12  8
9  14  8

$$$$