Mrv1572004191601122D          

  9  8  0  0  0  0            999 V2000
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004157

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCCOCOCCCl

> <INCHI_IDENTIFIER>
InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2

> <INCHI_KEY>
NLXGURFLBLRZRO-UHFFFAOYSA-N

> <FORMULA>
C5H10Cl2O2

> <MOLECULAR_WEIGHT>
173.03

> <EXACT_MASS>
172.005785

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
16.83022787339963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-chloro-2-[(2-chloroethoxy)methoxy]ethane

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
1.5166545569999998

> <ALOGPS_LOGS>
-1.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.005604261714173

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
37.55210000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(2-chloroethoxy)methane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Bis(2-chloroethoxy) methane

> <CAS>
111-91-1

> <SYNONYMS>
bis(2-chloroethoxy)methane; Bis(2-chloroethoxy)methane

$$$$