Molecule

ID:98412

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)
InChIKey
DKYUCRYPZALEMP-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1)C(=O)O)N
Isomeric Smiles
n1c(cc(c(c1)N)C(=O)O)F
Calculated Properties
JChem
Acid pKa
4.2951593
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.45821255
LogD (pH = 7.4)
-2.1956496
Log P
0.77086294
Molar Refractivity
37.0888
Polarizability
12.785667
Polar Surface Area
76.21
Rotatable Bonds
1
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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