Molecule

ID:32046

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃N
Molecular Mass
195.5695096
Exact Mass
195.00626151
Charge
0
InChI
InChI=1S/C7H5ClF3N/c1-4-2-3-5(6(8)12-4)7(9,10)11/h2-3H,1H3
InChIKey
DIFCQOVMVHCCHY-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(nc1Cl)C)(F)F
Isomeric Smiles
c1(c(ccc(n1)C)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5889986
LogD (pH = 7.4)
2.5890138
Log P
2.5890138
Molar Refractivity
40.3324
Polarizability
14.496542
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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