Molecule

ID:109361

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₈O₂
Molecular Mass
382.57872
Exact Mass
382.28718046
Charge
0
InChI
InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3
InChIKey
PFANXOISJYKQRP-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C
Isomeric Smiles
CCCC(c1cc(c(O)cc1C)C(C)(C)C)c1c(C)cc(O)c(c1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
10.508024
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
8.751017
LogD (pH = 7.4)
8.750684
Log P
8.751021
Molar Refractivity
120.9218
Polarizability
46.573452
Polar Surface Area
40.46
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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