Molecule

ID:35789

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₂N₂O₂
Molecular Mass
274.2223264
Exact Mass
274.05538395
Charge
0
InChI
InChI=1S/C14H8F2N2O2/c15-10-3-2-9(6-11(10)16)18-7-17-12-5-8(14(19)20)1-4-13(12)18/h1-7H,(H,19,20)
InChIKey
ZXIZLNKZYFQNDT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)ncn2c1ccc(c(c1)F)F
Isomeric Smiles
n1(cnc2c1ccc(C(=O)O)c2)c1cc(c(cc1)F)F
Calculated Properties
JChem
Acid pKa
2.3197563
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9329261
LogD (pH = 7.4)
-0.52381665
Log P
1.1973369
Molar Refractivity
77.6511
Polarizability
26.5882
Polar Surface Area
55.12
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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