Mrv1533004191515552D          

 16 16  0  0  0  0            999 V2000
    2.0751    2.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742    1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222    0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086   -0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140   -1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -2.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866   -2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -1.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008175

> <DATABASE_NAME>
chemdb

> <SMILES>
O=C1CCCCCCCCCCCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2

> <INCHI_KEY>
OSOIQJGOYGSIMF-UHFFFAOYSA-N

> <FORMULA>
C15H28O

> <MOLECULAR_WEIGHT>
224.388

> <EXACT_MASS>
224.214015522

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
28.52665131125531

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
cyclopentadecanone

> <ALOGPS_LOGP>
5.59

> <JCHEM_LOGP>
5.489312249666668

> <ALOGPS_LOGS>
-5.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.346983285909678

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
69.65639999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.71e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyclopentadecanone

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cyclopentadecanone

> <CAS>
502-72-7

$$$$