Mrv1652307282022252D          

 25 27  0  0  0  0            999 V2000
    0.1050    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195    7.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    7.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    7.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931   -0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2136   -0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9082    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491    0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437    1.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1698    3.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349    3.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    4.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195    6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0642    1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    3.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    2.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484    6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734    6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609    7.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    6.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899    2.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879    5.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 15  1  1  0  0  0  0
 15  2  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  2  0  0  0  0
 16  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 13  1  0  0  0  0
 24 18  1  0  0  0  0
 25 14  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006297

> <DATABASE_NAME>
CDB

> <SMILES>
CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3

> <INCHI_KEY>
VEMKTZHHVJILDY-UHFFFAOYSA-N

> <FORMULA>
C22H26O3

> <MOLECULAR_WEIGHT>
338.44

> <EXACT_MASS>
338.188194698

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
38.33859983119672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

> <ALOGPS_LOGP>
5.38

> <JCHEM_LOGP>
5.067613150333332

> <ALOGPS_LOGS>
-4.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8523993908940475

> <JCHEM_POLAR_SURFACE_AREA>
39.44

> <JCHEM_REFRACTIVITY>
99.8796

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.56e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
for-syn

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006297

> <GENERIC_NAME>
Resmethrin

$$$$