Molecule

ID:17037

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO₃
Molecular Mass
223.2004032
Exact Mass
223.06447141
Charge
0
InChI
InChI=1S/C11H10FNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)
InChIKey
MIRPNVFOUKDBEF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1cccc(c1)F
Isomeric Smiles
N1(c2cc(ccc2)F)CC(CC1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7796977
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.89842737
LogD (pH = 7.4)
-2.4482095
Log P
0.8233791
Molar Refractivity
53.2345
Polarizability
20.31193
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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