Molecule

ID:44430

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)8-11(13(18)19)12(17(15)2)9-4-6-10(16)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,18,19)
InChIKey
CNASGDLXRTYKQU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(C)CC(C(N1C)c1ccc(cc1)F)C(=O)O
Isomeric Smiles
N1(C(CC(C1c1ccc(cc1)F)C(=O)O)(C(=O)OC)C)C
Calculated Properties
JChem
Acid pKa
3.2479837
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.41344148
LogD (pH = 7.4)
-0.8580188
Log P
-0.4090955
Molar Refractivity
73.4265
Polarizability
28.72094
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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