Molecule

ID:25911

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈O₂
Molecular Mass
206.28082
Exact Mass
206.13067982
Charge
0
InChI
InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3
InChIKey
GWXUVWKBVROFDM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)C=O
Isomeric Smiles
O=Cc1ccc(cc1)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7411132
LogD (pH = 7.4)
3.7411132
Log P
3.7411132
Molar Refractivity
62.1808
Polarizability
23.95105
Polar Surface Area
26.3
Rotatable Bonds
7
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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