Molecule

ID:9523

General Information
Structure
Molecular Formula
C₉H₂F₆N₄
Molecular Mass
280.1293992
Exact Mass
280.0183654
Charge
0
InChI
InChI=1S/C9H2F6N4/c10-8(11,12)5-1-6(9(13,14)15)19-7(18-5)4(2-16)3-17-19/h1,3H
InChIKey
WVNWOBVYCHLPGW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn2c1nc(cc2C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c(nc2n(c1C(F)(F)F)ncc2C#N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5706155
LogD (pH = 7.4)
2.5706172
Log P
2.5706172
Molar Refractivity
60.9481
Polarizability
17.372904
Polar Surface Area
53.98
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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