P4G
  Mrv0541 02241214022D          

 11 10  0  0  0  0            999 V2000
   -3.5722    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    0.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -0.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08357

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOCCOCCOCC

> <INCHI_IDENTIFIER>
InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3

> <INCHI_KEY>
InChIKey=RRQYJINTUHWNHW-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
19.75237569080567

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
162.125594442

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C8H18O3

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-ethoxy-2-(2-ethoxyethoxy)ethane

> <ALOGPS_LOGP>
0.64

> <JCHEM_LOGP>
0.7442143276666656

> <ALOGPS_LOGS>
-1.15

> <JCHEM_MASS>
162.2267

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.665589941736544

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
44.596700000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-ethoxy-2-(2-ethoxyethoxy)ethane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB08357

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

$$$$