Mrv0541 05061305372D          

 28 27  0  0  0  0            999 V2000
    3.5211   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    4.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8105    2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092   -0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815    2.0921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 25  2  1  0  0  0  0
 25  3  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM024968

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCC\C=C/CCCC\C=C/C=C\C(\O)=N\CC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25(2)3/h14-15,20-23,25H,4-13,16-19,24H2,1-3H3,(H,27,28)/b15-14-,21-20-,23-22-

> <INCHI_KEY>
KDMZDJSBTQFEKT-RUAVVDHUSA-N

> <FORMULA>
C26H47NO

> <MOLECULAR_WEIGHT>
389.6575

> <EXACT_MASS>
389.365765131

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
52.35001149213949

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(Z,2Z,4Z,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienimidic acid

> <ALOGPS_LOGP>
9.38

> <JCHEM_LOGP>
9.678615699000002

> <ALOGPS_LOGS>
-7.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.583617928902191

> <JCHEM_PKA_STRONGEST_BASIC>
5.988352011678262

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
129.0009

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.54e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(Z,2Z,4Z,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Filfiline

> <CAS>
62726-18-5

$$$$