Molecule

ID:54518

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₃N₂
Molecular Mass
198.1446096
Exact Mass
198.04048283
Charge
0
InChI
InChI=1S/C9H5F3N2/c10-9(11,12)7-4-6-2-1-3-13-8(6)14-5-7/h1-5H
InChIKey
CBAVWUUTLLHPHM-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc2c(c1)cccn2)(F)F
Isomeric Smiles
c1(cnc2c(c1)cccn2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1160755
LogD (pH = 7.4)
2.116081
Log P
2.116081
Molar Refractivity
45.3689
Polarizability
16.490492
Polar Surface Area
25.78
Rotatable Bonds
1
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
References
Bioactivity
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