Molecule

ID:115029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₃
Molecular Mass
222.1725832
Exact Mass
222.04407031
Charge
0
InChI
InChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)13-9(14)8(5-12-13)10(15)16/h1-5,8H,(H,15,16)
InChIKey
GLJNBFHEOZSYNC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C=NN(C1=O)c1ccc(cc1)F
Isomeric Smiles
N1(C(=O)C(C=N1)C(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.2920797
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2745296
LogD (pH = 7.4)
-2.511926
Log P
0.9158397
Molar Refractivity
51.5241
Polarizability
19.254469
Polar Surface Area
69.97
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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