Molecule

ID:65797

General Information
Structure
MolImage
Molecular Formula
C₅H₄FN₃O₂
Molecular Mass
157.1025632
Exact Mass
157.0287546
Charge
0
InChI
InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
InChIKey
ZCGNOVWYSGBHAU-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(n1)C(=O)N)O
Isomeric Smiles
c1(cnc(c(n1)C(=O)N)O)F
Calculated Properties
JChem
Acid pKa
9.394017
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.25186828
LogD (pH = 7.4)
0.24811487
Log P
0.2519164
Molar Refractivity
33.9761
Polarizability
11.999248
Polar Surface Area
89.1
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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