Mrv1652306031608022D          

  8  8  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Cl  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
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044308

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC(Cl)=NC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H

> <INCHI_KEY>
XJPZKYIHCLDXST-UHFFFAOYSA-N

> <FORMULA>
C4H2Cl2N2

> <MOLECULAR_WEIGHT>
148.97

> <EXACT_MASS>
147.9595035

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
12.036045517030717

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,6-dichloropyrimidine

> <ALOGPS_LOGP>
1.56

> <JCHEM_LOGP>
1.6981791626666665

> <ALOGPS_LOGS>
-0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3216883708207376

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
34.454499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.92e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,6-dichloropyrimidine

> <JCHEM_VEBER_RULE>
1

> <NAME>
4,6-dichloropyrimidine

> <CAS>
1193-21-1

$$$$