Molecule

ID:67985

General Information
Structure
Molecular Formula
C₅H₄FN₃O₂
Molecular Mass
157.1025632
Exact Mass
157.0287546
Charge
0
InChI
InChI=1S/C5H4FN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
InChIKey
LDYYBZNEWDTDEE-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)[N+](=O)[O-])N
Isomeric Smiles
c1(c(cc(cn1)F)[N+](=O)[O-])N
Calculated Properties
JChem
Acid pKa
16.342896
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2537909
LogD (pH = 7.4)
1.2537911
Log P
1.2537911
Molar Refractivity
35.4519
Polarizability
12.379392
Polar Surface Area
82.05
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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