Molecule

ID:52107

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O
Molecular Mass
212.28694
Exact Mass
212.12011513
Charge
0
InChI
InChI=1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
InChIKey
RGYZQSCFKFDECZ-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)C)c1ccc(cc1)C
Isomeric Smiles
C(c1ccc(cc1)C)(c1ccc(cc1)C)O
Calculated Properties
JChem
Acid pKa
13.808389
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.016979
LogD (pH = 7.4)
4.0169787
Log P
4.016979
Molar Refractivity
67.2391
Polarizability
25.95596
Polar Surface Area
20.23
Rotatable Bonds
2
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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