Molecule

ID:6589

General Information
Structure
Molecular Formula
C₇HCl₂F₃N₂
Molecular Mass
240.9974496
Exact Mass
239.94688806
Charge
0
InChI
InChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKey
WRXXBTBGBXYHSG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(cc1C(F)(F)F)Cl
Isomeric Smiles
c1(c(cc(nc1Cl)Cl)C(F)(F)F)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1379619
LogD (pH = 7.4)
3.1379619
Log P
3.1379619
Molar Refractivity
47.3286
Polarizability
16.74139
Polar Surface Area
36.68
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
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Molecule Details
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References
Bioactivity
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