Molecule

ID:28374

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀F₂N₄
Molecular Mass
200.1886064
Exact Mass
200.08735278
Charge
0
InChI
InChI=1S/C8H10F2N4/c9-7(10)6-3-5(4-1-2-4)12-8(13-6)14-11/h3-4,7H,1-2,11H2,(H,12,13,14)
InChIKey
KAUDBIDUNQLYCR-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(cc(n1)C1CC1)C(F)F
Isomeric Smiles
c1(nc(C2CC2)cc(n1)C(F)F)NN
Calculated Properties
JChem
Acid pKa
15.313383
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4493927
LogD (pH = 7.4)
1.571024
Log P
1.5773746
Molar Refractivity
49.096
Polarizability
17.248312
Polar Surface Area
63.83
Rotatable Bonds
3
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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