Molecule

ID:44845

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)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H
InChIKey
YIQVNKFWTSLVSA-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc2c(n1)cccc2)(F)F
Isomeric Smiles
n1c(cnc2ccccc12)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5627735
LogD (pH = 7.4)
2.562777
Log P
2.5627773
Molar Refractivity
43.0521
Polarizability
17.10714
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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