Mrv0541 02241211142D          

  7  7  0  0  0  0            999 V2000
    1.2539   -0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688   -0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539    0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688    0.6909    0.0000 O   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
  3  7  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
M  END
> <DATABASE_ID>
FDB003193

> <DATABASE_NAME>
foodb

> <SMILES>
OCC1CCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2

> <INCHI_KEY>
BSYVTEYKTMYBMK-UHFFFAOYSA-N

> <FORMULA>
C5H10O2

> <MOLECULAR_WEIGHT>
102.1317

> <EXACT_MASS>
102.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
11.073932353972054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxolan-2-ylmethanol

> <ALOGPS_LOGP>
-0.28

> <JCHEM_LOGP>
-0.09998804033333342

> <ALOGPS_LOGS>
0.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.6773753044592

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9399160418295462

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
26.516

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofurfuryl alcohol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003193

> <GENERIC_NAME>
Tetrahydro-2-furanmethanol

$$$$