Molecule

ID:7680

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃N
Molecular Mass
195.5695096
Exact Mass
195.00626151
Charge
0
InChI
InChI=1S/C7H5ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2-3H,1H3
InChIKey
SXLBWNSGCIEART-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.588956
LogD (pH = 7.4)
2.589013
Log P
2.5890138
Molar Refractivity
40.3324
Polarizability
14.484825
Polar Surface Area
12.89
Rotatable Bonds
1
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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