Molecule

ID:108862

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₂
Molecular Mass
228.28634
Exact Mass
228.11502975
Charge
0
InChI
InChI=1S/C15H16O2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2,1-2H3
InChIKey
WECJUPODCKXNQK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cc1ccc(cc1)OC
Isomeric Smiles
COc1ccc(Cc2ccc(OC)cc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7496972
LogD (pH = 7.4)
3.7496972
Log P
3.7496972
Molar Refractivity
68.7216
Polarizability
26.739532
Polar Surface Area
18.46
Rotatable Bonds
4
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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