Molecule

ID:97014

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉FN₂O₂
Molecular Mass
256.2318632
Exact Mass
256.06480576
Charge
0
InChI
InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKey
YLECAKVNZMDMNS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc2c([nH]1)ccc(c2)C(=O)O
Isomeric Smiles
[nH]1c2ccc(cc2nc1c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.3337038
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4001062
LogD (pH = 7.4)
-0.023079049
Log P
1.7025367
Molar Refractivity
77.5427
Polarizability
26.883013
Polar Surface Area
65.98
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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