Mrv1572004191602122D          

 18 19  0  0  0  0            999 V2000
    3.4656    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682    1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0342    3.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9739    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4890    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685    1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    1.6769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275    0.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5191    2.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982    3.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18 10  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008007

> <DATABASE_NAME>
chemdb

> <SMILES>
CON(C1CCCCC1)C(=O)C1=C(C)OC(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3

> <INCHI_KEY>
QTDRLOKFLJJHTG-UHFFFAOYSA-N

> <FORMULA>
C14H21NO3

> <MOLECULAR_WEIGHT>
251.326

> <EXACT_MASS>
251.15214354

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
27.895870330731032

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
2.7609798693333336

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8854471181080883

> <JCHEM_POLAR_SURFACE_AREA>
42.68000000000001

> <JCHEM_REFRACTIVITY>
70.10699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.54e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
furmecyclox

> <JCHEM_VEBER_RULE>
0

> <NAME>
Furmecyclox

> <CAS>
60568-05-0

$$$$