Molecule

ID:50920

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₄S
Molecular Mass
238.64878
Exact Mass
237.98150539
Charge
0
InChI
InChI=1S/C6H7ClN2O4S/c1-8-3-4(14(7,12)13)5(10)9(2)6(8)11/h3H,1-2H3
InChIKey
SBIHCODLIXCTKF-UHFFFAOYSA-N
Canonic Smiles
O=c1n(C)cc(c(=O)n1C)S(=O)(=O)Cl
Isomeric Smiles
c1(c(=O)n(c(=O)n(c1)C)C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.40489486
LogD (pH = 7.4)
-0.40489486
Log P
-0.40489486
Molar Refractivity
49.9434
Polarizability
19.630579
Polar Surface Area
74.76
Rotatable Bonds
1
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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