Molecule

ID:100141

General Information
Structure
MolImage
Molecular Formula
C₅H₈F₂N₆
Molecular Mass
190.1540264
Exact Mass
190.07785073
Charge
0
InChI
InChI=1S/C5H8F2N6/c6-1-3(8)2(7)5(13-10)11-4(1)12-9/h9-10H2,(H4,8,11,12,13)
InChIKey
ARWGZRPDWOHEEX-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(NN)c(c(c1F)N)F
Isomeric Smiles
n1c(c(c(c(c1NN)F)N)F)NN
Calculated Properties
JChem
Acid pKa
17.307999
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-1.8110547
LogD (pH = 7.4)
-1.7858521
Log P
0.18425159
Molar Refractivity
49.0747
Polarizability
15.33858
Polar Surface Area
115.01
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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