Mrv1572004191601122D          

  6  5  0  0  0  0            999 V2000
   -1.4289    0.0000    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
    1.4289    0.0000    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
    2.1434    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004153

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCCOC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2

> <INCHI_KEY>
DNJRKFKAFWSXSE-UHFFFAOYSA-N

> <FORMULA>
C4H7ClO

> <MOLECULAR_WEIGHT>
106.55

> <EXACT_MASS>
106.0185425

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
10.532536402977785

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-chloroethoxy)ethene

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
1.2937136790000001

> <ALOGPS_LOGS>
-1.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.716662019043197

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
26.048

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-chloroethyl vinyl ether

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Chloroethyl vinyl ether

> <CAS>
110-75-8

> <SYNONYMS>
(2-chloroethoxy)ethene

$$$$