Mrv1572004221606492D          

  7  5  0  0  0  0            999 V2000
   -0.9625    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.4763    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.2382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020548

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.CN(C)CCCl

> <INCHI_IDENTIFIER>
InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H

> <INCHI_KEY>
LQLJZSJKRYTKTP-UHFFFAOYSA-N

> <FORMULA>
C4H11Cl2N

> <MOLECULAR_WEIGHT>
144.04

> <EXACT_MASS>
143.0268548

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
11.696971756720377

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-chloroethyl)dimethylamine hydrochloride

> <ALOGPS_LOGP>
0.64

> <JCHEM_LOGP>
0.8546593096666668

> <ALOGPS_LOGS>
0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.90003379384542

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
29.3314

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylaminoethyl chloride hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
(2-Chloroethyl)dimethylamine hydrochloride

> <CAS>
4584-46-7

$$$$