Molecule

ID:50857

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃N
Molecular Mass
195.5695096
Exact Mass
195.00626151
Charge
0
InChI
InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKey
OVENUGPMQDFGLE-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(cc(c1)Cl)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6258326
LogD (pH = 7.4)
2.6262083
Log P
2.626213
Molar Refractivity
41.5369
Polarizability
14.662723
Polar Surface Area
26.02
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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