Molecule

ID:96243

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂NO₂S
Molecular Mass
207.1977864
Exact Mass
207.01655591
Charge
0
InChI
InChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKey
OHQOPPCSAGDCDO-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)c1ccc(cc1)N)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)N)C(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5831546
LogD (pH = 7.4)
1.5831892
Log P
1.5831897
Molar Refractivity
44.5432
Polarizability
17.103365
Polar Surface Area
60.16
Rotatable Bonds
2
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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