21334667
  -OEChem-05072414492D

 15 14  0     0  0  0  0  0  0999 V2000
    3.7320    2.4050    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  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
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21334667

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
71.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAwxoBAAgCAACRCQACCAAAgIgAIiAAGbIgIJiKCkZOAcABk0BEI2AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
actinium;(4-hydroxyphenyl)azanide

> <PUBCHEM_IUPAC_CAS_NAME>
actinium;(4-hydroxyphenyl)azanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
actinium;(4-hydroxyphenyl)azanide

> <PUBCHEM_IUPAC_NAME>
actinium;(4-hydroxyphenyl)azanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
actinium;(4-hydroxyphenyl)azanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
actinium;(4-hydroxyphenyl)azanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6NO.Ac/c7-5-1-3-6(8)4-2-5;/h1-4,7-8H;/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
QDYAHWJLLWTSAA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
335.07269

> <PUBCHEM_MOLECULAR_FORMULA>
C6H6AcNO-

> <PUBCHEM_MOLECULAR_WEIGHT>
335.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1[NH-])O.[Ac]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1[NH-])O.[Ac]

> <PUBCHEM_CACTVS_TPSA>
21.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.07269

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  5  8
4  6  8
5  8  8
6  9  8
7  8  8
7  9  8

$$$$