Mrv1652304272019262D          

 15 16  0  0  0  0            999 V2000
   -4.4179   -2.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048   -2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0202   -2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247   -2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -1.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -1.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    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
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006068

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCC1=CC(O)=C2C=COC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C13H16O2/c1-2-3-4-5-10-8-12(14)11-6-7-15-13(11)9-10/h6-9,14H,2-5H2,1H3

> <INCHI_KEY>
HAJLYUGHDYPYBV-UHFFFAOYSA-N

> <FORMULA>
C13H16O2

> <MOLECULAR_WEIGHT>
204.269

> <EXACT_MASS>
204.115029755

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
23.773904237913207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-pentyl-1-benzofuran-4-ol

> <ALOGPS_LOGP>
4.74

> <JCHEM_LOGP>
4.120499944333332

> <ALOGPS_LOGS>
-3.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.91712202803837

> <JCHEM_PKA_STRONGEST_BASIC>
-2.824165712581951

> <JCHEM_POLAR_SURFACE_AREA>
33.370000000000005

> <JCHEM_REFRACTIVITY>
60.32520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.70e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-pentyl-1-benzofuran-4-ol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006068

> <GENERIC_NAME>
4-Hydroxy-6-n-pentylbenzofuran

$$$$