Molecule
ID:86115
General Information
Molecular Formula
C₁₇H₂₂O₃
Molecular Mass
274.35478
Exact Mass
274.15689456
Charge
0
InChI
InChI=1S/C17H22O3/c1-7-20-16(19)9-8-15(18)17-13(5)11(3)10(2)12(4)14(17)6/h8-9H,7H2,1-6H3
InChIKey
HAJUURKPOBXIJT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/C(=O)c1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
O=C(/C=C/C(=O)c1c(c(c(c(c1C)C)C)C)C)OCC
Calculated Properties
JChem
Acid pKa
13.709075
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.016467
LogD (pH = 7.4)
5.016467
Log P
5.016467
Molar Refractivity
83.1478
Polarizability
30.773008
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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