Molecule

ID:80399

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₂
Molecular Mass
182.25942
Exact Mass
182.13067982
Charge
0
InChI
InChI=1S/C11H18O2/c1-2-13-11(12)10-7-8-3-5-9(10)6-4-8/h8-10H,2-7H2,1H3
InChIKey
NSSSSLKQIAIXNW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC2CCC1CC2
Isomeric Smiles
O=C(C1C2CCC(C1)CC2)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5031707
LogD (pH = 7.4)
2.5031707
Log P
2.5031707
Molar Refractivity
50.6586
Polarizability
20.296827
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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