239991
  -OEChem-05211311552D

 42 43  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560   -5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 30  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 22  1  0  0  0  0
 10 16  2  0  0  0  0
 10 25  1  0  0  0  0
 11 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 26  1  0  0  0  0
 16 29  1  0  0  0  0
 17 28  1  0  0  0  0
 18 31  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
239991

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAIAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAgACCAACAiBEAQywIMAADCAQCRCQICCAAAhAgAIiAAIZIgIICLAkZGEIAhggABIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis[4-(dimethylamino)phenyl]phosphinic acid

> <PUBCHEM_IUPAC_CAS_NAME>
bis[4-(dimethylamino)phenyl]phosphinic acid

> <PUBCHEM_IUPAC_NAME>
bis[4-(dimethylamino)phenyl]phosphinic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis[4-(dimethylamino)phenyl]phosphinic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bis[4-(dimethylamino)phenyl]phosphinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H21N2O2P/c1-17(2)13-5-9-15(10-6-13)21(19,20)16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
TUEYLMCGFMKWBE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
304.134065

> <PUBCHEM_MOLECULAR_FORMULA>
C16H21N2O2P

> <PUBCHEM_MOLECULAR_WEIGHT>
304.323902

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)N(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)N(C)C)O

> <PUBCHEM_CACTVS_TPSA>
43.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
304.134065

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  16  8
11  17  8
12  14  8
12  16  8
13  15  8
13  17  8
6  10  8
6  8  8
7  11  8
7  9  8
8  14  8
9  15  8

$$$$