Molecule

ID:50097

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₂
Molecular Mass
232.3181
Exact Mass
232.14632988
Charge
0
InChI
InChI=1S/C15H20O2/c1-3-11(2)14-8-13(9-16)6-7-15(14)17-10-12-4-5-12/h6-9,11-12H,3-5,10H2,1-2H3
InChIKey
FNJZVWCWDPQUGB-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(C=O)ccc1OCC1CC1)C
Isomeric Smiles
c1(c(OCC2CC2)ccc(c1)C=O)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.998232
LogD (pH = 7.4)
3.998232
Log P
3.998232
Molar Refractivity
69.839
Polarizability
26.826777
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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