Molecule

ID:30813

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂S
Molecular Mass
222.69244
Exact Mass
222.02297628
Charge
0
InChI
InChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3
InChIKey
RQCJMZFSOMFEOT-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(c(c1C)S(=O)(=O)Cl)C
Isomeric Smiles
c1(S(=O)(=O)Cl)c(nn(c1C)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0350363
LogD (pH = 7.4)
1.035147
Log P
1.0351484
Molar Refractivity
63.6454
Polarizability
20.427803
Polar Surface Area
51.96
Rotatable Bonds
2
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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