Molecule

ID:21766

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₃
Molecular Mass
264.35996
Exact Mass
264.17254463
Charge
0
InChI
InChI=1S/C16H24O3/c1-15(2,3)11-7-8-13(19-10-14(17)18)12(9-11)16(4,5)6/h7-9H,10H2,1-6H3,(H,17,18)
InChIKey
ZKEWJHKMOWKCFM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCC(=O)O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
4.340311
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1967587
LogD (pH = 7.4)
1.4503891
Log P
4.3836703
Molar Refractivity
75.9376
Polarizability
29.769388
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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