Mrv1572004221604302D          

 15 14  0  0  0  0            999 V2000
   -1.0207   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062   -1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062    1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -2.6518    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    0.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062    1.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    0.6482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 13  3  1  0  0  0  0
 13  7  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM018056

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.[H]\C(=N/C1=CC=C(Cl)C=C1C)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H/b12-7+;

> <INCHI_KEY>
WZFNZVJGDCKNME-RRAJOLSVSA-N

> <FORMULA>
C10H14Cl2N2

> <MOLECULAR_WEIGHT>
233.14

> <EXACT_MASS>
232.0534039

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.592249330104412

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(E)-N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide hydrochloride

> <ALOGPS_LOGP>
3.44

> <JCHEM_LOGP>
2.6969897290000002

> <ALOGPS_LOGS>
-3.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.371337732345273

> <JCHEM_POLAR_SURFACE_AREA>
15.6

> <JCHEM_REFRACTIVITY>
58.75840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlordimeform hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chlordimeform hydrochloride

> <CAS>
19750-95-9

> <SYNONYMS>
(E)-N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide hydrochloride

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