Mrv1572004191603092D          

 10 10  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
    0.7145    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
    0.0000    0.8250    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    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
   -0.7145    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 Cl  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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011099

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC(Cl)=C(Cl)N=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H

> <INCHI_KEY>
FATBKZJZAHWCSL-UHFFFAOYSA-N

> <FORMULA>
C5HCl4N

> <MOLECULAR_WEIGHT>
216.87

> <EXACT_MASS>
214.8863098

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
17.013630238102312

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3,5,6-tetrachloropyridine

> <ALOGPS_LOGP>
3.39

> <JCHEM_LOGP>
3.612106448333333

> <ALOGPS_LOGS>
-2.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.02048923449178

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
45.2429

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.41e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3,5,6-tetrachlorpyridine

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,3,5,6-Tetrachlorpyridine

> <CAS>
2402-79-1

> <SYNONYMS>
2,3,5,6-Tetrachloropyridine; 2,3,5,6-tetrachloropyridine; Pyridine, 2,3,5,6-tetrachloro-

$$$$