Molecule

ID:52989

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-11(2)12-7-9-13(10-8-12)14-5-3-4-6-15(14)16(17)18/h3-11H,1-2H3,(H,17,18)
InChIKey
ZTBDDZNRMUSDEN-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)c1ccccc1C(=O)O)C
Isomeric Smiles
C(=O)(c1c(cccc1)c1ccc(cc1)C(C)C)O
Calculated Properties
JChem
Acid pKa
3.6849763
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7097428
LogD (pH = 7.4)
1.2115995
Log P
4.523063
Molar Refractivity
72.6412
Polarizability
29.104057
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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