Molecule

ID:18229

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClF₂N₂O₂S
Molecular Mass
230.6202064
Exact Mass
229.97283253
Charge
0
InChI
InChI=1S/C5H5ClF2N2O2S/c1-3-4(13(6,11)12)2-10(9-3)5(7)8/h2,5H,1H3
InChIKey
KJILWYBETJFERM-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(cc1S(=O)(=O)Cl)C(F)F
Isomeric Smiles
c1(S(=O)(=O)Cl)cn(nc1C)C(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.405531
LogD (pH = 7.4)
1.4055372
Log P
1.4055374
Molar Refractivity
53.756
Polarizability
16.767767
Polar Surface Area
51.96
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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