Mrv1572004251602332D          

 30 29  0  0  0  0            999 V2000
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   11.4532   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8375   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7387   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1230   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4086   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3098   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6941   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5953   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9796   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8809   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1664   -4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6928   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7362   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1651   -5.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506   -4.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
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 18 16  1  0  0  0  0
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 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011810

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3

> <INCHI_KEY>
DZKXJUASMGQEMA-UHFFFAOYSA-N

> <FORMULA>
C28H56O2

> <MOLECULAR_WEIGHT>
424.754

> <EXACT_MASS>
424.428031043

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
59.73652793930644

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetradecyl tetradecanoate

> <ALOGPS_LOGP>
10.38

> <JCHEM_LOGP>
11.282925168333334

> <ALOGPS_LOGS>
-7.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.0327278744240385

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
132.5343

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.24e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myristyl myristate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Tetradecanoic acid, tetradecyl ester

> <CAS>
3234-85-3

> <SYNONYMS>
tetradecyl myristate

$$$$