Molecule

ID:110704

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₂
Molecular Mass
218.29152
Exact Mass
218.13067982
Charge
0
InChI
InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3
InChIKey
FJKFIIYSBXHBCT-UHFFFAOYSA-N
Canonic Smiles
CC/C=C/CCOC(=O)Cc1ccccc1
Isomeric Smiles
CC/C=C/CCOC(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.608003
LogD (pH = 7.4)
3.608003
Log P
3.608003
Molar Refractivity
66.3269
Polarizability
25.594038
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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