Molecule

ID:124516

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FN₃O₂
Molecular Mass
271.2465032
Exact Mass
271.0757048
Charge
0
InChI
InChI=1S/C14H10FN3O2/c15-10-3-5-11(6-4-10)18-13(17-7-1-2-8-17)12(9-16-18)14(19)20/h1-9H,(H,19,20)
InChIKey
DQTYNXBPLGQSNB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1ncc(c1n1cccc1)C(=O)O
Isomeric Smiles
c1(c(cnn1c1ccc(cc1)F)C(=O)O)n1cccc1
Calculated Properties
JChem
Acid pKa
3.4371047
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.012582095
LogD (pH = 7.4)
-1.3988065
Log P
1.9200206
Molar Refractivity
80.898
Polarizability
26.73252
Polar Surface Area
60.05
Rotatable Bonds
3
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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