80946
  -OEChem-05042415162D

 26 27  0     0  0  0  0  0  0999 V2000
    7.2622    0.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 26  1  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  2  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
80946

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
242

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgAQCAAADAyBmAAyxsLAAgCIAiVSUACCAAAhIgAIiAAGbIgIJiLCkZOEcAhk1BHI2AewwLAOoAABQAASAABAAAKAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(7-hydroxy-1-naphthyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(7-hydroxy-1-naphthalenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(7-hydroxynaphthalen-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(7-hydroxynaphthalen-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(7-oxidanylnaphthalen-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(7-hydroxy-1-naphthyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
ALNWQAFPXMGLTJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.5

> <PUBCHEM_EXACT_MASS>
201.078978594

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
201.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=CC2=C1C=C(C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=CC2=C1C=C(C=C2)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
201.078978594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

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

$$$$