Molecule

ID:16476

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄O₃
Molecular Mass
276.37066
Exact Mass
276.17254463
Charge
0
InChI
InChI=1S/C17H24O3/c1-17(2)12-14(8-9-20-17)15(11-16(18)19)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,19)
InChIKey
YKPUDDGWRMLKKI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(C1CCOC(C1)(C)C)Cc1ccccc1
Isomeric Smiles
C(C1CC(OCC1)(C)C)(Cc1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.810833
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6240032
LogD (pH = 7.4)
0.85026175
Log P
3.3933737
Molar Refractivity
78.8721
Polarizability
31.056414
Polar Surface Area
46.53
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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