Molecule

ID:136148

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄FNO₄
Molecular Mass
207.1994632
Exact Mass
207.09068615
Charge
0
InChI
InChI=1S/C8H14FNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-/m1/s1
InChIKey
PQTDAIHXUZZXQM-RXMQYKEDSA-N
Canonic Smiles
FC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
[C@@H](CF)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9440572
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8056924
LogD (pH = 7.4)
-2.4327068
Log P
0.7575679
Molar Refractivity
45.2219
Polarizability
17.84771
Polar Surface Area
75.63
Rotatable Bonds
5
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
References
Bioactivity
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