Molecule

ID:33750

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃O₄
Molecular Mass
264.1978496
Exact Mass
264.06094349
Charge
0
InChI
InChI=1S/C11H11F3O4/c1-17-9-3-2-7(10(15)16)4-8(9)5-18-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,16)
InChIKey
AFVRXFYNQVQUBW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COCC(F)(F)F)C(=O)O
Isomeric Smiles
C(F)(F)(F)COCc1cc(C(=O)O)ccc1OC
Calculated Properties
JChem
Acid pKa
4.312674
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0913402
LogD (pH = 7.4)
-0.64969945
Log P
2.3040304
Molar Refractivity
56.7946
Polarizability
20.957779
Polar Surface Area
55.76
Rotatable Bonds
6
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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