Molecule

ID:18228

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClF₂N₂O₂S
Molecular Mass
244.6467864
Exact Mass
243.98848259
Charge
0
InChI
InChI=1S/C6H7ClF2N2O2S/c1-3-5(14(7,12)13)4(2)11(10-3)6(8)9/h6H,1-2H3
InChIKey
HLIWWBFDPRHELR-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1S(=O)(=O)Cl)C)C(F)F
Isomeric Smiles
c1(c(n(nc1C)C(F)F)C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6050719
LogD (pH = 7.4)
1.6050982
Log P
1.6050986
Molar Refractivity
58.9057
Polarizability
18.473387
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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