Mrv0541 04251301032D          

  8  8  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D3871

> <DATABASE_NAME>
t3db

> <SMILES>
O=C1NNC(=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)

> <INCHI_KEY>
BGRDGMRNKXEXQD-UHFFFAOYSA-N

> <FORMULA>
C4H4N2O2

> <MOLECULAR_WEIGHT>
112.0868

> <EXACT_MASS>
112.027277382

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.339861876873647

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,3,6-tetrahydropyridazine-3,6-dione

> <ALOGPS_LOGP>
-1.44

> <JCHEM_LOGP>
-1.2139605993333333

> <ALOGPS_LOGS>
-0.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.17608644995421

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.380234053434721

> <JCHEM_PKA_STRONGEST_BASIC>
-2.906612584731202

> <JCHEM_POLAR_SURFACE_AREA>
58.2

> <JCHEM_REFRACTIVITY>
26.651400000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.73e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stuntman

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3871

> <NAME>
Maleic hydrazide

> <CAS>
123-33-1

> <SYNONYMS>
1,2,3,6-Tetrahydro-3,6-dioxopyridazine; 1,2-Dihydro-3,6-pyridazinedione; 1,2-dihydropyridazine-3,6-dione; 3,6-Dihydroxypyridazine; 3,6-Pyridazinediol; Antergon; Antyrost; Burtolin; cis-Butenedioic acid hydrazide; De-cut; De-sprout; Drexel-super P; Fair plus; Fazor; Gotax; Maintain 3; Malein 30; Malepin; Malzid; Mazide; Milurit; N,N-Maleoylhydrazine; Regulox; Retard; Sorbatran; Sprout-stop; Sucker-stuff; Super-de-sprout; Unriprim; Vondrax

> <TYPES>
Organic Compound; Pesticide; Ester; Herbicide; Industrial/Workplace Toxin; Synthetic Compound

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