Molecule

ID:115074

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FN₃O₃
Molecular Mass
287.2459032
Exact Mass
287.07061942
Charge
0
InChI
InChI=1S/C14H10FN3O3/c1-7-11(8-2-4-9(15)5-3-8)12-16-6-10(14(20)21)13(19)18(12)17-7/h2-6,16H,1H3,(H,20,21)
InChIKey
FBSAKDCEGPDLEP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1c(C)nn2c1[nH]cc(c2=O)C(=O)O
Isomeric Smiles
n12c(c(c(n1)C)c1ccc(cc1)F)[nH]cc(c2=O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4974067
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.3800616
LogD (pH = 7.4)
-1.7621052
Log P
1.6141071
Molar Refractivity
72.8453
Polarizability
27.664282
Polar Surface Area
84.22
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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