Molecule

ID:15437

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-6-7-17-14-11(2)8-12(10-16)9-13(14)15(3,4)5/h8-10H,6-7H2,1-5H3
InChIKey
JTKMIFYMTVDWOX-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(C)cc(cc1C(C)(C)C)C=O
Isomeric Smiles
c1(c(c(cc(c1)C=O)C)OCCC)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4658847
LogD (pH = 7.4)
4.4658847
Log P
4.4658847
Molar Refractivity
72.0849
Polarizability
27.482567
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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