Molecule

ID:63989

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₂
Molecular Mass
182.25942
Exact Mass
182.13067982
Charge
0
InChI
InChI=1S/C11H18O2/c12-6-11-3-7-1-8(4-11)10(13)9(2-7)5-11/h7-10,12-13H,1-6H2/t7-,8-,9+,10?,11-
InChIKey
ZADKVFUSYUBUOM-WSNMKYEWSA-N
Canonic Smiles
OC[C@]12C[C@H]3C[C@H](C2)C([C@H](C1)C3)O
Isomeric Smiles
[C@]12(CO)C[C@H]3C[C@@H](C([C@@H](C3)C1)O)C2
Calculated Properties
JChem
Acid pKa
18.443872
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.67650133
LogD (pH = 7.4)
0.67650145
Log P
0.67650145
Molar Refractivity
49.9613
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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