Molecule

ID:119112

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₂
Molecular Mass
232.3181
Exact Mass
232.14632988
Charge
0
InChI
InChI=1S/C15H20O2/c1-15(2)11-13(8-9-17-15)14(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey
HGSNTPSHWYITNG-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOC(C1)(C)C)Cc1ccccc1
Isomeric Smiles
C(=O)(C1CC(OCC1)(C)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.5079155
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.058777
LogD (pH = 7.4)
3.058777
Log P
3.058777
Molar Refractivity
68.7244
Polarizability
26.941822
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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