3194
  -OEChem-05082403532D

 25 27  0     0  0  0  0  0  0999 V2000
    4.6783   -1.1824    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.7806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.7806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    1.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -0.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3194

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAIAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgCAAAAADAiBmAAwwIIAAACIAiVSUACCAAAlAgAIiAEAZMgIIDLAlZGEIQhghADIyYcYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-phenyl-1,2-benzoselenazol-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-1,2-benzoselenazol-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-phenyl-1,2-benzoselenazol-3-one

> <PUBCHEM_IUPAC_NAME>
2-phenyl-1,2-benzoselenazol-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-phenyl-1,2-benzoselenazol-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-phenyl-1,2-benzoselenazol-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

> <PUBCHEM_IUPAC_INCHIKEY>
DYEFUKCXAQOFHX-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
274.98494

> <PUBCHEM_MOLECULAR_FORMULA>
C13H9NOSe

> <PUBCHEM_MOLECULAR_WEIGHT>
274.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

> <PUBCHEM_CACTVS_TPSA>
20.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.98494

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1  3  8
1  5  8
10  14  8
11  15  8
12  13  8
14  16  8
15  16  8
3  6  8
4  5  8
4  6  8
4  8  8
5  9  8
7  10  8
7  11  8
8  12  8
9  13  8

$$$$