Molecule

ID:30737

General Information
Structure
Molecular Formula
C₄H₅ClN₂O₂S
Molecular Mass
180.6127
Exact Mass
179.97602609
Charge
0
InChI
InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChIKey
RDAVKKQKMLINOH-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cn(nc1)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.34740648
LogD (pH = 7.4)
0.34740886
Log P
0.3474089
Molar Refractivity
49.1556
Polarizability
15.139507
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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