Molecule

ID:59012

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O₃
Molecular Mass
250.2257432
Exact Mass
250.07537044
Charge
0
InChI
InChI=1S/C12H11FN2O3/c1-6(16)14-10-8-5-7(13)3-4-9(8)15-11(10)12(17)18-2/h3-5,15H,1-2H3,(H,14,16)
InChIKey
DPIYZUKVDLSBLU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c2c(c1NC(=O)C)cc(cc2)F
Isomeric Smiles
c1(ccc2[nH]c(c(c2c1)NC(=O)C)C(=O)OC)F
Calculated Properties
JChem
Acid pKa
10.728203
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0258958
LogD (pH = 7.4)
2.0257177
Log P
2.0258982
Molar Refractivity
64.1267
Polarizability
24.544945
Polar Surface Area
71.19
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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