Molecule

ID:101452

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂
Molecular Mass
214.25976
Exact Mass
214.09937969
Charge
0
InChI
InChI=1S/C14H14O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-9,15H,10-11H2
InChIKey
ZKZSJQJXKWKOJY-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)COc1ccccc1
Isomeric Smiles
O(Cc1cc(CO)ccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.977871
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.772698
LogD (pH = 7.4)
2.772698
Log P
2.772698
Molar Refractivity
63.9497
Polarizability
24.907013
Polar Surface Area
29.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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