67762281
  -OEChem-05122415202D

 21 18  0     0  0  0  0  0  0999 V2000
    5.6720    4.2150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3360    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.7150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67762281

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
74.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAwxoBAAgCAACRCQACCAAAgIgAIiAAHbIgKJiKSkZOAcABk0BEI2AeQQAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminophenol;trihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminophenol;trihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminophenol;trihydrochloride

> <PUBCHEM_IUPAC_NAME>
2-aminophenol;trihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylphenol;trihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminophenol;trihydrochloride

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

> <PUBCHEM_IUPAC_INCHIKEY>
SPQPSRZWPVINLJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
216.982797

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10Cl3NO

> <PUBCHEM_MOLECULAR_WEIGHT>
218.5

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

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

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.982797

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
6  7  8
6  8  8
7  9  8
8  10  8
9  11  8

$$$$