Molecule

ID:85123

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆O₂
Molecular Mass
346.46204
Exact Mass
346.19328007
Charge
0
InChI
InChI=1S/C24H26O2/c1-15-11-20(12-16(2)22(15)25)24(5,19-9-7-6-8-10-19)21-13-17(3)23(26)18(4)14-21/h6-14,25-26H,1-5H3
InChIKey
BUGLKPUHRTVBDI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1O)C)C(c1cc(C)c(c(c1)C)O)(c1ccccc1)C
Isomeric Smiles
Oc1c(cc(cc1C)C(c1cc(c(c(c1)C)O)C)(c1ccccc1)C)C
Calculated Properties
JChem
Acid pKa
10.376954
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
7.232459
LogD (pH = 7.4)
7.2320094
Log P
7.232465
Molar Refractivity
109.9186
Polarizability
41.43493
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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