Molecule

ID:38785

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO₄
Molecular Mass
255.2422632
Exact Mass
255.09068615
Charge
0
InChI
InChI=1S/C12H14FNO4/c1-12(2,3)18-11(17)14-8-6-4-5-7(13)9(8)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChIKey
ADEVFUGRTWPNPT-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1C(=O)O)F)OC(C)(C)C
Isomeric Smiles
c1(c(cccc1NC(=O)OC(C)(C)C)F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4346886
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.2529767
LogD (pH = 7.4)
-0.82934725
Log P
2.6844919
Molar Refractivity
63.8228
Polarizability
23.562653
Polar Surface Area
75.63
Rotatable Bonds
4
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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