Mrv1652306031609292D          

  8  7  0  0  0  0            999 V2000
    1.9520    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 O   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  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045595

> <DATABASE_NAME>
chemdb

> <SMILES>
CON(C)C(=O)CCl

> <INCHI_IDENTIFIER>
InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3

> <INCHI_KEY>
SCOJKGRNQDKFRP-UHFFFAOYSA-N

> <FORMULA>
C4H8ClNO2

> <MOLECULAR_WEIGHT>
137.56

> <EXACT_MASS>
137.0243562

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
12.40012773704812

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-chloro-N-methoxy-N-methylacetamide

> <ALOGPS_LOGP>
0.45

> <JCHEM_LOGP>
0.10551054299999996

> <ALOGPS_LOGS>
0.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.204794860802988

> <JCHEM_PKA_STRONGEST_BASIC>
-4.636828719141097

> <JCHEM_POLAR_SURFACE_AREA>
29.540000000000003

> <JCHEM_REFRACTIVITY>
30.362700000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.34e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-chloro-N-methoxy-N-methylacetamide

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Chloro-N-methoxy-N-methylacetamide

> <CAS>
67442-07-3

$$$$