Molecule

ID:50089

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₂
Molecular Mass
232.3181
Exact Mass
232.14632988
Charge
0
InChI
InChI=1S/C15H20O2/c1-15(2,3)13-8-12(9-16)6-7-14(13)17-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKey
JAWTZSFFWSETGJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)C(C)(C)C)OCC1CC1
Isomeric Smiles
c1(C(C)(C)C)c(OCC2CC2)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8537104
LogD (pH = 7.4)
3.8537104
Log P
3.8537104
Molar Refractivity
69.7131
Polarizability
26.826138
Polar Surface Area
26.3
Rotatable Bonds
5
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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