Molecule

ID:59888

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇FN₂O₃
Molecular Mass
280.2947832
Exact Mass
280.12232063
Charge
0
InChI
InChI=1S/C14H17FN2O3/c15-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-14(19)20/h1-4H,5-10H2,(H,19,20)
InChIKey
JCLJIIGKSJEXHQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCN(CC1)c1ccc(cc1)F
Isomeric Smiles
N1(C(=O)CCC(=O)O)CCN(c2ccc(cc2)F)CC1
Calculated Properties
JChem
Acid pKa
4.2978764
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.16620712
LogD (pH = 7.4)
-1.8864731
Log P
0.8661962
Molar Refractivity
71.9176
Polarizability
26.95333
Polar Surface Area
60.85
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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