Molecule

ID:59519

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀O₂
Molecular Mass
244.3288
Exact Mass
244.14632988
Charge
0
InChI
InChI=1S/C16H20O2/c1-16(2,3)13-6-4-11(5-7-13)12-8-14(17)10-15(18)9-12/h4-7,12H,8-10H2,1-3H3
InChIKey
DOBCYMOHKDQMLM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C1CC(=O)CC(=O)C1)(C)C
Isomeric Smiles
c1c(ccc(c1)C1CC(=O)CC(=O)C1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
8.772289
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7865584
LogD (pH = 7.4)
3.7687538
Log P
3.7867901
Molar Refractivity
72.2501
Polarizability
28.08265
Polar Surface Area
34.14
Rotatable Bonds
2
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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