Molecule

ID:79400

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀O₂
Molecular Mass
326.4724
Exact Mass
326.2245802
Charge
0
InChI
InChI=1S/C22H30O2/c1-13(2)12-22(7,18-8-14(3)20(23)15(4)9-18)19-10-16(5)21(24)17(6)11-19/h8-11,13,23-24H,12H2,1-7H3
InChIKey
IWVAMAOCYGWCIN-UHFFFAOYSA-N
Canonic Smiles
CC(CC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C)C
Isomeric Smiles
Oc1c(cc(cc1C)C(c1cc(c(c(c1)C)O)C)(CC(C)C)C)C
Calculated Properties
JChem
Acid pKa
10.483664
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
7.2748127
LogD (pH = 7.4)
7.2744613
Log P
7.2748175
Molar Refractivity
113.1905
Polarizability
39.194336
Polar Surface Area
40.46
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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