Molecule

ID:87594

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O
Molecular Mass
166.26002
Exact Mass
166.1357652
Charge
0
InChI
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
InChIKey
BHTUFJXTYNLISA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccco1
Isomeric Smiles
o1c(ccc1)CCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0584183
LogD (pH = 7.4)
4.0584183
Log P
4.0584183
Molar Refractivity
51.2501
Polarizability
20.016317
Polar Surface Area
13.14
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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