Mrv1652305271900302D          

  5  5  0  0  0  0            999 V2000
    9.2080  -11.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6205   -9.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7954   -9.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8754  -10.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405  -10.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB021917

> <DATABASE_NAME>
foodb

> <SMILES>
C1CCOC1

> <INCHI_IDENTIFIER>
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2

> <INCHI_KEY>
WYURNTSHIVDZCO-UHFFFAOYSA-N

> <FORMULA>
C4H8O

> <MOLECULAR_WEIGHT>
72.1057

> <EXACT_MASS>
72.057514878

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
8.143121394001305

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxolane

> <ALOGPS_LOGP>
0.35

> <JCHEM_LOGP>
0.5303469016666666

> <ALOGPS_LOGS>
-0.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.122667250833544

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
20.5535

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.97e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofuran

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB021917

> <GENERIC_NAME>
Tetrahydrofuran

$$$$