Molecule

ID:96214

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄F₃NO₄
Molecular Mass
257.2069696
Exact Mass
257.08749259
Charge
0
InChI
InChI=1S/C9H14F3NO4/c1-3-5-6(14)13-8(16,9(10,11)12)7(15)17-4-2/h16H,3-5H2,1-2H3,(H,13,14)
InChIKey
SRWJCYPEXYCHCF-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)NC(C(F)(F)F)(C(=O)OCC)O
Isomeric Smiles
N(C(C(F)(F)F)(C(=O)OCC)O)C(=O)CCC
Calculated Properties
JChem
Acid pKa
7.469158
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4441655
LogD (pH = 7.4)
1.1748694
Log P
1.4487352
Molar Refractivity
50.9306
Polarizability
19.645468
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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