Molecule

ID:11930

General Information
Structure
MolImage
Molecular Formula
C₅H₄FN₅
Molecular Mass
153.1171632
Exact Mass
153.04507337
Charge
0
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey
WKMPTBDYDNUJLF-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(N)c2c(n1)[nH]cn2
Isomeric Smiles
[nH]1cnc2c(N)nc(nc12)F
Calculated Properties
JChem
Acid pKa
10.238186
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.047381554
LogD (pH = 7.4)
0.04692387
Log P
0.04749087
Molar Refractivity
39.0831
Polarizability
13.143177
Polar Surface Area
80.48
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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