Molecule

ID:22500

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃N
Molecular Mass
195.5695096
Exact Mass
195.00626151
Charge
0
InChI
InChI=1S/C7H5ClF3N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h2-3H,1H3
InChIKey
NKYBAQUYKRUCIO-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(C)c(Cl)cc(C(F)(F)F)cn1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3671167
LogD (pH = 7.4)
2.368815
Log P
2.3688366
Molar Refractivity
39.2711
Polarizability
14.444253
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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