Mrv0541 02241209192D          

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   -4.4892    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1306   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8521    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM023179

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC1=CC=C(CC=C)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3

> <INCHI_KEY>
QZCTXVLQHKKTGL-UHFFFAOYSA-N

> <FORMULA>
C26H42O3

> <MOLECULAR_WEIGHT>
402.6099

> <EXACT_MASS>
402.31339521

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
51.60576674789434

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoate

> <ALOGPS_LOGP>
8.86

> <JCHEM_LOGP>
9.001334749666665

> <ALOGPS_LOGS>
-7.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.9019289821694905

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
122.3808

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.44e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Oryzarol

$$$$