Molecule

ID:77220

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O
Molecular Mass
166.26002
Exact Mass
166.1357652
Charge
0
InChI
InChI=1S/C11H18O/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10,12H,2-6H2,1H3
InChIKey
JKOZWMQUOWYZAB-UHFFFAOYSA-N
Canonic Smiles
CC1(O)[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
Isomeric Smiles
[C@@H]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2(C)O
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9378018
LogD (pH = 7.4)
1.9378022
Log P
1.9378022
Molar Refractivity
48.3497
Polarizability
19.423065
Polar Surface Area
20.23
Rotatable Bonds
0
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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