Mrv1572004221604532D          

 32 32  0  0  0  0            999 V2000
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    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM018476

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=NCC1=CC(OC)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-

> <INCHI_KEY>
OPZKBPQVWDSATI-KHPPLWFESA-N

> <FORMULA>
C26H43NO3

> <MOLECULAR_WEIGHT>
417.634

> <EXACT_MASS>
417.324294249

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
52.289490589827125

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enimidic acid

> <ALOGPS_LOGP>
8.25

> <JCHEM_LOGP>
8.28337256

> <ALOGPS_LOGS>
-6.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.93647948991989

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.016782659122069

> <JCHEM_PKA_STRONGEST_BASIC>
3.8568710243863196

> <JCHEM_POLAR_SURFACE_AREA>
62.05000000000001

> <JCHEM_REFRACTIVITY>
127.69949999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.76e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
olvanil

> <JCHEM_VEBER_RULE>
0

> <NAME>
Olvanil

> <CAS>
58493-49-5

$$$$