23846
  -OEChem-05042419392D

 28 27  0     0  0  0  0  0  0999 V2000
    4.2690   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23846

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
104

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAUCAAACACBgAACAABQAAAIAAEQEAAAAAAAAAAgAAEAAAAAABIAgAAAAAAAEAAAAAEYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
octanehydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
N-hydroxyoctanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-hydroxyoctanamide

> <PUBCHEM_IUPAC_NAME>
N-hydroxyoctanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-oxidanyloctanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
octanehydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
RGUVUPQQFXCJFC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.3

> <PUBCHEM_EXACT_MASS>
159.125928785

> <PUBCHEM_MOLECULAR_FORMULA>
C8H17NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
159.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC(=O)NO

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
159.125928785

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$