Molecule

ID:108725

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈O₂
Molecular Mass
206.28082
Exact Mass
206.13067982
Charge
0
InChI
InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey
QWBQBUWZZBUFHN-UHFFFAOYSA-N
Canonic Smiles
CC(CCOC(=O)Cc1ccccc1)C
Isomeric Smiles
CC(C)CCOC(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3678062
LogD (pH = 7.4)
3.3678062
Log P
3.3678062
Molar Refractivity
60.5569
Polarizability
23.986559
Polar Surface Area
26.3
Rotatable Bonds
6
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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