Molecule

ID:8618

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO₄
Molecular Mass
283.2954232
Exact Mass
283.12198628
Charge
0
InChI
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
NTWUXBKUDXGMHV-LLVKDONJSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccccc1F
Isomeric Smiles
[C@@H](NC(=O)OC(C)(C)C)(Cc1ccccc1F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8337796
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0428373
LogD (pH = 7.4)
-0.5341293
Log P
2.7124143
Molar Refractivity
70.2057
Polarizability
27.239216
Polar Surface Area
75.63
Rotatable Bonds
6
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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