Molecule

ID:54346

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClF₃N₂O
Molecular Mass
240.6101296
Exact Mass
240.02772523
Charge
0
InChI
InChI=1S/C8H7F3N2O.ClH/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKey
RTWUEKKBEVKNHU-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccccc1OC(F)(F)F.Cl
Isomeric Smiles
O(C(F)(F)F)c1c(cccc1)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.08672408
LogD (pH = 7.4)
0.14393482
Log P
2.3248258
Molar Refractivity
50.8008
Polarizability
16.001165
Polar Surface Area
59.1
Rotatable Bonds
3
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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