Molecule

ID:94663

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅FO₃
Molecular Mass
296.3770032
Exact Mass
296.17877288
Charge
0
InChI
InChI=1S/C17H25FO3/c1-2-3-4-5-6-7-8-9-12-21-14-10-11-15(17(19)20)16(18)13-14/h10-11,13H,2-9,12H2,1H3,(H,19,20)
InChIKey
KGDJHFSYERDQGZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCOc1ccc(c(c1)F)C(=O)O
Isomeric Smiles
O(c1cc(c(cc1)C(=O)O)F)CCCCCCCCCC
Calculated Properties
JChem
Acid pKa
3.611662
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7230637
LogD (pH = 7.4)
2.268236
Log P
5.6071706
Molar Refractivity
81.4734
Polarizability
31.412209
Polar Surface Area
46.53
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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