Molecule

ID:65270

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄FNO₄
Molecular Mass
219.2101632
Exact Mass
219.09068615
Charge
0
InChI
InChI=1S/C9H14FNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKey
FJLIZBBURXQODR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC(C1)(F)C(=O)O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)(F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7597158
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8554341
LogD (pH = 7.4)
-2.3947434
Log P
0.8856769
Molar Refractivity
48.1143
Polarizability
18.961037
Polar Surface Area
66.84
Rotatable Bonds
3
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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