Molecule

ID:38962

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO₅
Molecular Mass
299.2948232
Exact Mass
299.1169009
Charge
0
InChI
InChI=1S/C14H18FNO5/c1-14(2,3)21-13(20)16-10(12(18)19)7-8-4-5-11(17)9(15)6-8/h4-6,10,17H,7H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
PIDYYTCMUSVKTJ-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccc(c(c1)F)O
Isomeric Smiles
c1(c(cc(cc1)CC(C(=O)O)NC(=O)OC(C)(C)C)F)O
Calculated Properties
JChem
Acid pKa
3.6280456
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.54003555
LogD (pH = 7.4)
-0.9639928
Log P
2.408849
Molar Refractivity
72.1866
Polarizability
27.908018
Polar Surface Area
95.86
Rotatable Bonds
6
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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