Molecule

ID:110141

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₂
Molecular Mass
182.25942
Exact Mass
182.13067982
Charge
0
InChI
InChI=1S/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2
InChIKey
NMFWOBQDDWFAAB-UHFFFAOYSA-N
Canonic Smiles
O=COC1CCC2C(C1)CCCC2
Isomeric Smiles
C1CCC2CC(CCC2C1)OC=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6725698
LogD (pH = 7.4)
2.6725698
Log P
2.6725698
Molar Refractivity
50.4335
Polarizability
20.296827
Polar Surface Area
26.3
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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