68121804
  -OEChem-05042414142D

 18 16  0     0  0  0  0  0  0999 V2000
    4.5860    0.0000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    6.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68121804

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
74.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAEAAACAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAwxoBAAgCAACRCQACCAAAgIgAIiAAHbIgKJiKSkZOAcABk0BEI2AeQQAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminophenol;zinc;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminophenol;zinc;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminophenol;zinc;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-aminophenol;zinc;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylphenol;zinc;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminophenol;zinc;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7NO.ClH.Zn/c7-5-3-1-2-4-6(5)8;;/h1-4,8H,7H2;1H;

> <PUBCHEM_IUPAC_INCHIKEY>
ZLFCRNVPGCHIHR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
208.958583

> <PUBCHEM_MOLECULAR_FORMULA>
C6H8ClNOZn

> <PUBCHEM_MOLECULAR_WEIGHT>
211.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)N)O.Cl.[Zn]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)N)O.Cl.[Zn]

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.958583

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  6  8
5  7  8
6  8  8
7  9  8
8  10  8
9  10  8

$$$$