Molecule

ID:22105

General Information
Structure
MolImage
Molecular Formula
C₇H₉FN₂O₂S
Molecular Mass
204.2219632
Exact Mass
204.03687676
Charge
0
InChI
InChI=1S/C7H9FN2O2S/c1-13(11,12)7-4-5(8)2-3-6(7)10-9/h2-4,10H,9H2,1H3
InChIKey
WQKYCFAHQGLJTD-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1S(=O)(=O)C)F
Isomeric Smiles
c1c(ccc(c1S(=O)(=O)C)NN)F
Calculated Properties
JChem
Acid pKa
15.496426
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.33447805
LogD (pH = 7.4)
0.34769097
Log P
0.3478989
Molar Refractivity
49.9847
Polarizability
18.647629
Polar Surface Area
72.19
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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