Molecule

ID:58542

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₂N₄OS
Molecular Mass
270.2585264
Exact Mass
270.03868834
Charge
0
InChI
InChI=1S/C10H8F2N4OS/c11-5-1-2-7(6(12)3-5)14-9(17)10-16-15-8(4-13)18-10/h1-3H,4,13H2,(H,14,17)
InChIKey
SQDIYUWALCOIMF-UHFFFAOYSA-N
Canonic Smiles
NCc1nnc(s1)C(=O)Nc1ccc(cc1F)F
Isomeric Smiles
s1c(nnc1C(=O)Nc1ccc(cc1F)F)CN
Calculated Properties
JChem
Acid pKa
6.2925057
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.6506032
LogD (pH = 7.4)
-0.08726876
Log P
0.0045419456
Molar Refractivity
64.6331
Polarizability
22.854525
Polar Surface Area
80.9
Rotatable Bonds
3
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
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References
Bioactivity
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