Mrv0541 02271200282D          

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    6.5607  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751  -15.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9897  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7041  -15.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4186  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1331  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8475  -15.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8489  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8502  -15.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5647  -15.7529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8502  -14.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9936  -15.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7081  -15.3404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB029603

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO

> <INCHI_IDENTIFIER>
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-

> <INCHI_KEY>
FMVHVRYFQIXOAF-DOFZRALJSA-N

> <FORMULA>
C24H41NO2

> <MOLECULAR_WEIGHT>
375.5878

> <EXACT_MASS>
375.313729561

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
47.16563561963316

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide

> <ALOGPS_LOGP>
6.58

> <JCHEM_LOGP>
6.202939581000001

> <ALOGPS_LOGS>
-6.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.45421975479898

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.463455353153769

> <JCHEM_PKA_STRONGEST_BASIC>
-0.32593691026839566

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
122.16719999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.91e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
docosatetraenoylethanolamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB029603

> <GENERIC_NAME>
Adrenoyl ethanolamide

$$$$