ZAR
  Mrv0541 02231216332D          

 19 20  0  0  0  0            999 V2000
    0.0542    3.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    2.5304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    1.7054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    2.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687   -0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602   -0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602   -2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602   -3.2446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -2.0071    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832   -1.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832   -2.0071    0.0000 C   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
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017829

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=C(OC(F)F)C=CC(=C1)C1=NNC(=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)

> <INCHI_KEY>
HJMQDJPMQIHLPB-UHFFFAOYSA-N

> <FORMULA>
C12H10F2N2O3

> <MOLECULAR_WEIGHT>
268.2162

> <EXACT_MASS>
268.065948606

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
23.948072572393446

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-[4-(difluoromethoxy)-3-methoxyphenyl]-2,3-dihydropyridazin-3-one

> <ALOGPS_LOGP>
2.33

> <JCHEM_LOGP>
1.9712982889999995

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.344960176655436

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5774636808776292

> <JCHEM_POLAR_SURFACE_AREA>
59.92

> <JCHEM_REFRACTIVITY>
63.638700000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.93e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zardaverine

> <JCHEM_VEBER_RULE>
0

> <NAME>
Zardaverine

> <CAS>
101975-10-4

$$$$