Molecule

ID:97677

General Information
Structure
Molecular Formula
C₈H₃F₆N₃
Molecular Mass
255.1199392
Exact Mass
255.02311643
Charge
0
InChI
InChI=1S/C8H3F6N3/c9-7(10,11)4-3-5(8(12,13)14)17-2-1-15-6(17)16-4/h1-3H
InChIKey
VMWWNZXOUYSVDH-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc2nccn2c(c1)C(F)(F)F)(F)F
Isomeric Smiles
n1c(C(F)(F)F)cc(n2c1ncc2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8665183
LogD (pH = 7.4)
1.868814
Log P
1.8688433
Molar Refractivity
46.2425
Polarizability
15.529512
Polar Surface Area
30.19
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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