25164
  -OEChem-04242409222D

 23 24  0     0  0  0  0  0  0999 V2000
    4.2690   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
217

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgAUCAAADACBmAAwAMBQAACIAiFSEACCAAAkAAAoiAEABMgIIDKAlRGAIQBggAAIiYcYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
naphthalene-2-carbohydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
N-hydroxy-2-naphthalenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-hydroxynaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-hydroxynaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-oxidanylnaphthalene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
naphthalene-2-carbohydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9NO2/c13-11(12-14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,14H,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
PCJLUGWQCHMMAG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.5

> <PUBCHEM_EXACT_MASS>
187.063328530

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
187.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C(C=CC2=C1)C(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C(C=CC2=C1)C(=O)NO

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
187.063328530

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  12  8
11  13  8
12  13  8
4  10  8
4  5  8
4  6  8
5  11  8
5  8  8
6  7  8
7  9  8
8  9  8

$$$$