Molecule

ID:24566

General Information

Structure

MolImage

Molecular Formula

C₂H₉ClN₂O₂S

Molecular Mass

160.62306

Exact Mass

160.00732622

Charge

0

InChI

InChI=1S/C2H8N2O2S.ClH/c3-1-2-7(4,5)6;/h1-3H2,(H2,4,5,6);1H

InChIKey

DGUVEYAZTOUCEJ-UHFFFAOYSA-N

Canonic Smiles

NCCS(=O)(=O)N.Cl

Isomeric Smiles

S(=O)(=O)(CCN)N.Cl

Calculated Properties

JChem

Acid pKa

11.923873

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-4.869137

LogD (pH = 7.4)

-3.2627907

Log P

-2.1800442

Molar Refractivity

26.1405

Polarizability

11.353574

Polar Surface Area

86.18

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