Molecule

ID:80210

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-12-8-15(10-17)9-13(2)16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey
GSYUTKRSEZMBNC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)c(c(c1)C)OCc1ccccc1
Isomeric Smiles
O(c1c(cc(cc1C)C=O)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2793927
LogD (pH = 7.4)
4.2793927
Log P
4.2793927
Molar Refractivity
73.8002
Polarizability
27.875906
Polar Surface Area
26.3
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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