Molecule

ID:93267

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂F₃NO₅
Molecular Mass
271.1904896
Exact Mass
271.06675715
Charge
0
InChI
InChI=1S/C9H12F3NO5/c1-2-18-7(16)5(3-4-6(14)15)13-8(17)9(10,11)12/h5H,2-4H2,1H3,(H,13,17)(H,14,15)/t5-/m1/s1
InChIKey
FDYYYAZAOZPMTO-RXMQYKEDSA-N
Canonic Smiles
CCOC(=O)[C@H](NC(=O)C(F)(F)F)CCC(=O)O
Isomeric Smiles
N([C@@H](C(=O)OCC)CCC(=O)O)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
4.025155
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3349065
LogD (pH = 7.4)
-3.472279
Log P
0.5220152
Molar Refractivity
51.2594
Polarizability
19.727245
Polar Surface Area
92.7
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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