Mrv1652305231918272D          

 24 23  0  0  0  0            999 V2000
   31.3518  -10.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0664   -9.5782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4925   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2070   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7780   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9215   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0635   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6359   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3491   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3505   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6346   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0650   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9200   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7794   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2056   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4939   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4911   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2084   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7767   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9229   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0621   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6374   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3476   -9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3518   -9.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011694

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)

> <INCHI_KEY>
ORAWFNKFUWGRJG-UHFFFAOYSA-N

> <FORMULA>
C22H45NO

> <MOLECULAR_WEIGHT>
339.5988

> <EXACT_MASS>
339.350115067

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
47.63149059679789

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
docosanamide

> <ALOGPS_LOGP>
9.15

> <JCHEM_LOGP>
8.117052154

> <ALOGPS_LOGS>
-7.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.883920541768287

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3815449951119874

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
106.51179999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.34e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
behenamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Docosanamide

> <CAS>
3061-75-4

$$$$