Molecule

ID:99626

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅FO₂
Molecular Mass
210.2447032
Exact Mass
210.10560794
Charge
0
InChI
InChI=1S/C12H15FO2/c1-3-4-7-15-10-5-6-11(9(2)14)12(13)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKey
HLXNDDSWXZJJEN-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(c(c1)F)C(=O)C
Isomeric Smiles
O(c1cc(c(cc1)C(=O)C)F)CCCC
Calculated Properties
JChem
Acid pKa
15.473241
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.839823
LogD (pH = 7.4)
2.839823
Log P
2.839823
Molar Refractivity
57.014
Polarizability
21.773607
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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