2460667
  -OEChem-05052403012D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000    3.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3077   -4.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7026   -0.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.5850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -1.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -2.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888   -2.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064   -3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010   -3.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.7860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4464   -1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831   -2.6819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054   -3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420   -4.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 20  1  0  0  0  0
 16 25  1  0  0  0  0
 17 21  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 20 22  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2460667

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
506

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzsAAGAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAAABwAAAHgIIAAAADALBmiQwAIIABECqAjFzEACSAAAsBQAaiCG4DthKZrKBtznbMQBkzgGYqYeYyCCOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-pyridazinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one

> <PUBCHEM_IUPAC_NAME>
4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5-bis(chloranyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5-dichloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridazin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H7Cl3N4O2/c14-8-3-1-7(2-4-8)12-19-18-10(22-12)6-20-13(21)11(16)9(15)5-17-20/h1-5H,6H2

> <PUBCHEM_IUPAC_INCHIKEY>
JZLIRWOEBPNNEI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
355.963459

> <PUBCHEM_MOLECULAR_FORMULA>
C13H7Cl3N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
357.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=NN=C(O2)CN3C(=O)C(=C(C=N3)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=NN=C(O2)CN3C(=O)C(=C(C=N3)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
71.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.963459

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
13  16  8
13  17  8
14  15  8
15  18  8
16  20  8
17  21  8
18  19  8
20  22  8
21  22  8
4  11  8
4  12  8
6  14  8
6  7  8
7  19  8
8  11  8
8  9  8
9  12  8

$$$$