Molecule

ID:35240

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FNO₃
Molecular Mass
289.3015432
Exact Mass
289.1114216
Charge
0
InChI
InChI=1S/C16H16FNO3/c1-10-14(11(2)19)9-15(18(10)8-7-16(20)21)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,20,21)
InChIKey
MWGNHLBNJGHFLI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1c(cc(c1C)C(=O)C)c1ccc(cc1)F
Isomeric Smiles
n1(c(cc(c1C)C(=O)C)c1ccc(cc1)F)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.350852
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2818342
LogD (pH = 7.4)
-0.46645492
Log P
2.4589393
Molar Refractivity
77.2801
Polarizability
30.166998
Polar Surface Area
59.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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