Molecule

ID:94640

General Information
Structure
MolImage
Molecular Formula
CCuF₃S
Molecular Mass
164.6169096
Exact Mass
163.89687816
Charge
0
InChI
InChI=1S/CHF3S.Cu/c2-1(3,4)5;/h5H;/q;+1/p-1
InChIKey
BCCLDZVXWYCMMP-UHFFFAOYSA-M
Canonic Smiles
[S-]C(F)(F)F.[Cu+]
Isomeric Smiles
[S-]C(F)(F)F.[Cu+]
Calculated Properties
JChem
Acid pKa
5.1671085
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7409848
LogD (pH = 7.4)
1.0655106
Log P
2.1770794
Molar Refractivity
15.2095
Polarizability
5.5835276
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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