68794
  -OEChem-04182411222D

 38 40  0     1  0  0  0  0  0999 V2000
    2.0000   -1.9984    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5878    0.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    2.5535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878    2.2747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.4657    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5000    0.5997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5000    2.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5388    0.9657    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5388    1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900    0.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    2.5438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    2.9423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    0.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    2.9423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    2.5438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    1.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    1.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3962    2.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4418    0.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834   -0.1236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8494    0.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7123    0.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -0.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -1.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -3.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -3.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68794

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABAAAAHgIQAAAACB6hkCIyBoLABACIACFSEAICCAAgJQAIiAFGCokPJiKFsx6POCCk1BGaqAeQQAAAAAAAAQAAAAAAAAACAACgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

> <PUBCHEM_IUPAC_NAME>
6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(3-chloranylphenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18ClNO3/c1-10-14(18)17-15(20-10)8-3-2-7-13(15)19-12-6-4-5-11(16)9-12/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
PSHBCUHYCLAGPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
295.0975211

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
295.76

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(=O)NC2(O1)CCCCC2OC3=CC(=CC=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(=O)NC2(O1)CCCCC2OC3=CC(=CC=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.0975211

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
12  14  3
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
7  3  3
6  8  3

$$$$