Molecule

ID:24702

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₂
Molecular Mass
208.2967
Exact Mass
208.14632988
Charge
0
InChI
InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKey
BSWOQWGHXZTDOO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C
Isomeric Smiles
C12(C(=O)O)CC3(CC(C1)(CC(C2)C3)C)C
Calculated Properties
JChem
Acid pKa
4.7422576
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1529403
LogD (pH = 7.4)
0.37592545
Log P
2.9798706
Molar Refractivity
57.3385
Polarizability
22.99868
Polar Surface Area
37.3
Rotatable Bonds
1
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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