Molecule

ID:123684

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)10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKey
SOKCIJUMTHTSEN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)NS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(Nc1c(cc(cc1)N)F)C
Calculated Properties
JChem
Acid pKa
8.510383
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.343525
LogD (pH = 7.4)
-0.368518
Log P
-0.339839
Molar Refractivity
47.658
Polarizability
18.411459
Polar Surface Area
72.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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