Molecule

ID:8639

General Information
Structure
Molecular Formula
CH₂F₃NO₂S
Molecular Mass
149.0922896
Exact Mass
148.97583397
Charge
0
InChI
InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKey
KAKQVSNHTBLJCH-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)N)(F)F
Isomeric Smiles
C(F)(S(=O)(=O)N)(F)F
Calculated Properties
JChem
Acid pKa
6.187344
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5020772
LogD (pH = 7.4)
-0.20883107
Log P
0.5731611
Molar Refractivity
18.5173
Polarizability
8.082297
Polar Surface Area
60.16
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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