2811010
  -OEChem-05211316512D

 24 25  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.2352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079    3.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2811010

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
280

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIcAAAACA7BkiQ8xJByAACpALV3UgKCBAAkJwI6uCH2btoKJDqBl5GAIYBikAgIyccUAAAAAAAQAAIAABAAACAABAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-(2,5-dichlorophenyl)isoxazole-5-carbohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-(2,5-dichlorophenyl)-5-isoxazolecarbohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[2,5-bis(chloranyl)phenyl]-1,2-oxazole-5-carbohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-(2,5-dichlorophenyl)isoxazole-5-carbohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-15-10(16)9-3-4-13-17-9/h1-5,14H,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
QRDSVEMXPVSSRC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
270.991532

> <PUBCHEM_MOLECULAR_FORMULA>
C10H7Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
272.08748

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)NNC(=O)C2=CC=NO2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)NNC(=O)C2=CC=NO2)Cl

> <PUBCHEM_CACTVS_TPSA>
67.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.991532

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
11  13  8
12  13  8
15  16  8
16  17  8
3  15  8
3  7  8
7  17  8
8  10  8
8  9  8
9  12  8

$$$$