11362
  -OEChem-04262405432D

 24 26  0     0  0  0  0  0  0999 V2000
    4.6660    0.8100    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  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  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11362

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
214

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAEAAAAQAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHAEQAAAACAiBEAAwwILAAACAACRCQACCAAAhAgAIjAAAZIgIIGLAkZGEIAhgkADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-chloro-5H-phenarsazinine

> <PUBCHEM_IUPAC_CAS_NAME>
10-chloro-5H-phenarsazinine

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-chloro-5<I>H</I>-phenarsazinine

> <PUBCHEM_IUPAC_NAME>
10-chloro-5H-phenarsazinine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-chloranyl-5H-phenarsazinine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-chloro-5H-phenarsazinine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H

> <PUBCHEM_IUPAC_INCHIKEY>
PBNSPNYJYOYWTA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
276.963947

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9AsClN

> <PUBCHEM_MOLECULAR_WEIGHT>
277.58

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.963947

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

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

$$$$