Molecule

ID:31740

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈FNO₄
Molecular Mass
295.3061232
Exact Mass
295.12198628
Charge
0
InChI
InChI=1S/C15H18FNO4/c1-21-9-8-17-13(18)7-6-11(15(19)20)14(17)10-4-2-3-5-12(10)16/h2-5,11,14H,6-9H2,1H3,(H,19,20)/t11-,14+/m1/s1
InChIKey
HHCUZFIQGFMFKJ-RISCZKNCSA-N
Canonic Smiles
COCCN1C(=O)CC[C@H]([C@@H]1c1ccccc1F)C(=O)O
Isomeric Smiles
[C@H]1(N(C(=O)CC[C@H]1C(=O)O)CCOC)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
4.188124
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.017318506
LogD (pH = 7.4)
-1.6942507
Log P
1.347254
Molar Refractivity
73.3842
Polarizability
28.35291
Polar Surface Area
66.84
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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