Molecule

ID:122147

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₅O₃
Molecular Mass
282.163496
Exact Mass
282.03153518
Charge
0
InChI
InChI=1S/C11H7F5O3/c12-10(13)19-7-3-1-6(2-4-7)8(17)5-9(18)11(14,15)16/h1-4,10H,5H2
InChIKey
RHAPIMJKOZCWSY-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)C(=O)CC(=O)C(F)(F)F)F
Isomeric Smiles
C(C(=O)CC(=O)c1ccc(OC(F)F)cc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
7.5770226
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6505432
LogD (pH = 7.4)
3.4328754
Log P
3.654163
Molar Refractivity
53.8383
Polarizability
19.713398
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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