Molecule

ID:38523

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈FNO₄
Molecular Mass
235.2526232
Exact Mass
235.12198628
Charge
0
InChI
InChI=1S/C10H18FNO4/c1-9(2,3)16-8(15)12-6(7(13)14)10(4,5)11/h6H,1-5H3,(H,12,15)(H,13,14)
InChIKey
OFCALSFZTOBZCI-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(C(F)(C)C)C(=O)O
Isomeric Smiles
C(C(C(=O)O)NC(=O)OC(C)(C)C)(C)(F)C
Calculated Properties
JChem
Acid pKa
4.1173215
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.057496883
LogD (pH = 7.4)
-1.633252
Log P
1.4547195
Molar Refractivity
54.2789
Polarizability
21.4581
Polar Surface Area
75.63
Rotatable Bonds
5
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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