Molecule

ID:6827

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃N
Molecular Mass
195.5695096
Exact Mass
195.00626151
Charge
0
InChI
InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChIKey
MBBUTABXEITVNY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1Cl)C(F)(F)F)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.626021
LogD (pH = 7.4)
2.6262107
Log P
2.626213
Molar Refractivity
41.5369
Polarizability
14.66523
Polar Surface Area
26.02
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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