Molecule

ID:96206

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₃N₃
Molecular Mass
197.1167896
Exact Mass
197.02008174
Charge
0
InChI
InChI=1S/C8H2F3N3/c9-5-3(1-12)7(11)8(14)4(2-13)6(5)10/h14H2
InChIKey
JJQQOCSLHWPLLT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(N)c(c(c1F)F)C#N
Isomeric Smiles
N#Cc1c(c(c(c(c1F)F)C#N)F)N
Calculated Properties
JChem
Acid pKa
14.388297
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.284618
LogD (pH = 7.4)
1.284618
Log P
1.284618
Molar Refractivity
42.8508
Polarizability
14.550317
Polar Surface Area
73.6
Rotatable Bonds
0
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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