Molecule

ID:21778

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO₃
Molecular Mass
211.1897032
Exact Mass
211.06447141
Charge
0
InChI
InChI=1S/C10H10FNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
NAPJELQHRKGMDD-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)F)CCC(=O)O
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.86186
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.46395552
LogD (pH = 7.4)
-2.054357
Log P
1.1785209
Molar Refractivity
52.0307
Polarizability
19.19722
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
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