Molecule

ID:38055

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₄N₃
Molecular Mass
219.1390128
Exact Mass
219.04196006
Charge
0
InChI
InChI=1S/C8H5F4N3/c9-7(10)4-3-5(8(11)12)15-6(14-4)1-2-13-15/h1-3,7-8H
InChIKey
ULYLMIJDFWJOBH-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc2ccnn2c(c1)C(F)F)F
Isomeric Smiles
c1(n2c(nc(c1)C(F)F)ccn2)C(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.508083
LogD (pH = 7.4)
1.5081056
Log P
1.5081059
Molar Refractivity
53.4654
Polarizability
15.474703
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
No Data Available
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Molecule Details
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References
Bioactivity
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