Molecule

ID:87095

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆O₂
Molecular Mass
298.41924
Exact Mass
298.19328007
Charge
0
InChI
InChI=1S/C20H26O2/c1-7-20(6,16-8-12(2)18(21)13(3)9-16)17-10-14(4)19(22)15(5)11-17/h8-11,21-22H,7H2,1-6H3
InChIKey
CDQGZJGHIVUWQA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C
Isomeric Smiles
Oc1c(cc(cc1C)C(c1cc(c(c(c1)C)O)C)(CC)C)C
Calculated Properties
JChem
Acid pKa
10.48549
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.5432253
LogD (pH = 7.4)
6.542875
Log P
6.5432296
Molar Refractivity
104.0409
Polarizability
35.502533
Polar Surface Area
40.46
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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