Molecule

ID:63992

General Information
Structure
Molecular Formula
C₁₁H₁₈O₂
Molecular Mass
182.25942
Exact Mass
182.13067982
Charge
0
InChI
InChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2
InChIKey
FORAJDRXEYKDFJ-UHFFFAOYSA-N
Canonic Smiles
OCC12CC3CC(C1)CC(C2)(C3)O
Isomeric Smiles
C12CC3(CC(CC(C1)(C3)O)C2)CO
Calculated Properties
JChem
Acid pKa
14.585873
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5921053
LogD (pH = 7.4)
0.59210527
Log P
0.5921053
Molar Refractivity
50.1279
Polarizability
20.04532
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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