Molecule

ID:11632

General Information
Structure
Molecular Formula
C₁₁H₁₀FNO₃
Molecular Mass
223.2004032
Exact Mass
223.06447141
Charge
0
InChI
InChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKey
JYYMPQMWOVXMDK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)c1ccc(cc1)F
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.7736762
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9042444
LogD (pH = 7.4)
-2.4508946
Log P
0.8233791
Molar Refractivity
53.2345
Polarizability
20.311556
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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