Molecule

ID:44432

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈FNO₄
Molecular Mass
295.3061232
Exact Mass
295.12198628
Charge
0
InChI
InChI=1S/C15H18FNO4/c1-15(14(20)21-3)8-10(13(18)19)12(17(15)2)9-6-4-5-7-11(9)16/h4-7,10,12H,8H2,1-3H3,(H,18,19)
InChIKey
CYFCBHQFWFNNCD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(C)CC(C(N1C)c1ccccc1F)C(=O)O
Isomeric Smiles
N1(C(C(CC1(C(=O)OC)C)C(=O)O)c1c(F)cccc1)C
Calculated Properties
JChem
Acid pKa
3.2490814
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.35451275
LogD (pH = 7.4)
-0.9033074
Log P
-0.34551558
Molar Refractivity
73.4265
Polarizability
28.720787
Polar Surface Area
66.84
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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