Molecule

ID:53958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClF₃N₂
Molecular Mass
248.6321296
Exact Mass
248.03281061
Charge
0
InChI
InChI=1S/C10H8ClF3N2/c1-16-8-3-2-6(10(12,13)14)4-7(8)15-9(16)5-11/h2-4H,5H2,1H3
InChIKey
XWOBZZFDBNGPCI-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2c(n1C)ccc(c2)C(F)(F)F
Isomeric Smiles
c1(nc2c(n1C)ccc(c2)C(F)(F)F)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9616413
LogD (pH = 7.4)
3.0206263
Log P
3.0214372
Molar Refractivity
55.0328
Polarizability
21.190096
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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