Molecule

ID:100140

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₂N₄
Molecular Mass
160.1247464
Exact Mass
160.05605265
Charge
0
InChI
InChI=1S/C5H6F2N4/c6-2-1-10-5(11-9)3(7)4(2)8/h1H,9H2,(H3,8,10,11)
InChIKey
VNFAXUJHGBTXOB-UHFFFAOYSA-N
Canonic Smiles
NNc1ncc(c(c1F)N)F
Isomeric Smiles
n1c(c(c(c(c1)F)N)F)NN
Calculated Properties
JChem
Acid pKa
17.50436
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.1403215
LogD (pH = 7.4)
-0.065347716
Log P
0.19815145
Molar Refractivity
39.0545
Polarizability
12.732347
Polar Surface Area
76.96
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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