Molecule

ID:69711

General Information
Structure
Molecular Formula
C₄H₅ClN₂O₂S
Molecular Mass
180.6127
Exact Mass
179.97602609
Charge
0
InChI
InChI=1S/C4H5ClN2O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3
InChIKey
KXUGUWTUFUWYRS-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc(c1)S(=O)(=O)Cl
Isomeric Smiles
c1nc(cn1C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6192082
LogD (pH = 7.4)
0.6192124
Log P
0.6192124
Molar Refractivity
38.4172
Polarizability
15.150293
Polar Surface Area
51.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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