Molecule

ID:124626

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FN₂O₄
Molecular Mass
278.2358432
Exact Mass
278.07028506
Charge
0
InChI
InChI=1S/C13H11FN2O4/c1-20-11-6-8(14)2-3-9(11)10-4-5-12(17)16(15-10)7-13(18)19/h2-6H,7H2,1H3,(H,18,19)
InChIKey
CUQSHHAJJIBNRC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)O
Isomeric Smiles
n1(nc(c2c(cc(cc2)F)OC)ccc1=O)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3033044
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.133146
LogD (pH = 7.4)
-2.3788261
Log P
1.0465726
Molar Refractivity
68.3643
Polarizability
25.196314
Polar Surface Area
79.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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