Mrv1652309082223512D          

 14 14  0  0  0  0            999 V2000
    5.7750    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7763    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2052    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9197    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7447    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.1434    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
  2  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
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0274460

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)CCCCCCCCC1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O2/c13-12(14)8-6-4-2-1-3-5-7-11-9-10-11/h11H,1-10H2,(H,13,14)

> <INCHI_KEY>
YVSYMQVXJYGAJL-UHFFFAOYSA-N

> <FORMULA>
C12H22O2

> <MOLECULAR_WEIGHT>
198.306

> <EXACT_MASS>
198.161979948

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
24.79189307920847

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-cyclopropylnonanoic acid

> <JCHEM_LOGP>
3.8570326463333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
56.824999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
9-cyclopropylnonanoic acid

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0274460

> <GENERIC_NAME>
9-cyclopropylnonanoic acid

$$$$