Mrv1572004221604222D          

  6  4  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
M  CHG  2   4   1   6  -1
M  END
> <DATABASE_ID>
CHEM012079

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].CN(C)C=[Cl+]

> <INCHI_IDENTIFIER>
InChI=1S/C3H7ClN.ClH/c1-5(2)3-4;/h3H,1-2H3;1H/q+1;/p-1

> <INCHI_KEY>
QQVDYSUDFZZPSU-UHFFFAOYSA-M

> <FORMULA>
C3H7Cl2N

> <MOLECULAR_WEIGHT>
128.0

> <EXACT_MASS>
126.9955546

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
9.24123669542379

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(dimethylamino)methylidene]-λ³-chloranylium chloride

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
0.586813967333333

> <ALOGPS_LOGS>
-0.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
24.860200000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.15e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(dimethylamino)methylidene]-λ³-chloranylium chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methanaminium, N-(chloromethylene)-N-methyl-, chloride

> <CAS>
3724-43-4

> <SYNONYMS>
(chloromethylidene)dimethylazanium chloride; N-(Chloromethylidene)-N-methylmethanaminium chloride

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