3973
  -OEChem-05052407172D

 40 43  0     0  0  0  0  0  0999 V2000
    8.1301   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574   -1.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009   -2.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408   -3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    0.9922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656    0.9922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -0.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860   -1.5654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407   -0.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422    0.5998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656   -1.9577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626   -1.9577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.6718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170   -1.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3227   -1.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -2.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -2.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479   -3.6372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3973

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
463

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHgAAAAAADAThmAYwBoMABACIAqBSQAACCAAkIgAIiAEMCMgOJjaENRqLMWAk4BGYqceIyOCOgAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-morpholino-8-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-morpholinyl)-8-phenyl-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-morpholin-4-yl-8-phenylchromen-4-one

> <PUBCHEM_IUPAC_NAME>
2-morpholin-4-yl-8-phenylchromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-morpholin-4-yl-8-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-morpholino-8-phenyl-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
CZQHHVNHHHRRDU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
307.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
307.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  11  8
10  13  8
11  14  8
11  15  8
12  14  8
13  17  8
15  18  8
16  19  8
16  20  8
17  18  8
19  21  8
2  10  8
2  9  8
20  22  8
21  23  8
22  23  8
9  12  8

$$$$