Molecule
ID:85309
General Information
Molecular Formula
C₂₆H₂₈O₃S
Molecular Mass
420.56372
Exact Mass
420.17591576
Charge
0
InChI
InChI=1S/C26H28O3S/c1-27-25-16-13-20(7-5-6-8-23-18-28-23)17-26(25)29-22-14-11-21(12-15-22)19-30-24-9-3-2-4-10-24/h2-4,9-17,23H,5-8,18-19H2,1H3
InChIKey
FKUOVAVPFBDZHO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Oc1ccc(cc1)CSc1ccccc1)CCCCC1CO1
Isomeric Smiles
O1CC1CCCCc1ccc(c(c1)Oc1ccc(cc1)CSc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.95116
LogD (pH = 7.4)
6.95116
Log P
6.95116
Molar Refractivity
124.009
Polarizability
48.613186
Polar Surface Area
30.99
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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