Molecule

ID:28376

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₂N₄O
Molecular Mass
266.2466864
Exact Mass
266.09791746
Charge
0
InChI
InChI=1S/C12H12F2N4O/c1-19-8-4-2-3-7(5-8)9-6-10(11(13)14)17-12(16-9)18-15/h2-6,11H,15H2,1H3,(H,16,17,18)
InChIKey
WIRAWWCIVRUBFU-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1nc(NN)nc(c1)C(F)F
Isomeric Smiles
c1(nc(cc(n1)C(F)F)c1cc(OC)ccc1)NN
Calculated Properties
JChem
Acid pKa
15.131177
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.511952
LogD (pH = 7.4)
2.5339687
Log P
2.5416126
Molar Refractivity
68.3327
Polarizability
25.831358
Polar Surface Area
73.06
Rotatable Bonds
4
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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