Molecule

ID:129992

General Information
Structure
MolImage
Molecular Formula
CF₃N₃O₂S
Molecular Mass
175.0898096
Exact Mass
174.96633192
Charge
0
InChI
InChI=1S/CF3N3O2S/c2-1(3,4)10(8,9)7-6-5
InChIKey
NQPHMXWPDCSHTE-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)N=[N+]=[N-])(F)F
Isomeric Smiles
FC(F)(F)S(=O)(=O)N=[N+]=[N-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1040001
LogD (pH = 7.4)
1.1040001
Log P
1.2180457
Molar Refractivity
23.0744
Polarizability
9.389056
Polar Surface Area
63.57
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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