Molecule

ID:124520

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FN₃O₂
Molecular Mass
271.2465032
Exact Mass
271.0757048
Charge
0
InChI
InChI=1S/C14H10FN3O2/c15-11-5-1-2-6-12(11)18-13(17-7-3-4-8-17)10(9-16-18)14(19)20/h1-9H,(H,19,20)
InChIKey
GWJWVCUSKWCSTQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1n1ncc(c1n1cccc1)C(=O)O
Isomeric Smiles
n1(c(c(cn1)C(=O)O)n1cccc1)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
3.4339957
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.012194935
LogD (pH = 7.4)
-1.3989415
Log P
1.9225547
Molar Refractivity
80.898
Polarizability
26.740019
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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