Molecule
ID:84879
General Information
Molecular Formula
C₁₆H₁₆O
Molecular Mass
224.29764
Exact Mass
224.12011513
Charge
0
InChI
InChI=1S/C16H16O/c1-15(2)16(17-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
WYQZQKVQBQLNDY-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OC1(c1ccccc1)c1ccccc1
Isomeric Smiles
O1C(C1(C)C)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9439385
LogD (pH = 7.4)
3.9439385
Log P
3.9439385
Molar Refractivity
69.0865
Polarizability
27.296604
Polar Surface Area
12.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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