Molecule

ID:60071

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₄
Molecular Mass
334.3421632
Exact Mass
334.13288532
Charge
0
InChI
InChI=1S/C17H19FN2O4/c18-12-4-5-13-14(10-12)24-19-17(13)11-6-8-20(9-7-11)15(21)2-1-3-16(22)23/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKey
WNIJWPIOKKTCBZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)N1CCC(CC1)c1noc2c1ccc(c2)F
Isomeric Smiles
n1c(c2c(o1)cc(cc2)F)C1CCN(C(=O)CCCC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.277811
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.36832765
LogD (pH = 7.4)
-1.3653613
Log P
1.6136928
Molar Refractivity
84.1274
Polarizability
32.96788
Polar Surface Area
83.64
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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