Molecule
ID:119572
General Information
Molecular Formula
C₁₅H₂₀O₂
Molecular Mass
232.3181
Exact Mass
232.14632988
Charge
0
InChI
InChI=1S/C15H20O2/c1-10-8-9-12-14(16-10)11-6-4-5-7-13(11)17-15(12,2)3/h4-7,10,12,14H,8-9H2,1-3H3
InChIKey
QTLDMKVNVOUSIV-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2C(O1)c1ccccc1OC2(C)C
Isomeric Smiles
C12C(C(Oc3c1cccc3)(C)C)CCC(O2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2036393
LogD (pH = 7.4)
3.2036393
Log P
3.2036393
Molar Refractivity
67.4165
Polarizability
26.81003
Polar Surface Area
18.46
Rotatable Bonds
0
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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