Molecule

ID:114059

General Information

Structure

MolImage

Molecular Formula

C₆H₇ClO₂S₂

Molecular Mass

210.70158

Exact Mass

209.95759914

Charge

0

InChI

InChI=1S/C6H7ClO2S2/c1-2-5-3-4-6(10-5)11(7,8)9/h3-4H,2H2,1H3

InChIKey

DTRJLPLCPLOEHO-UHFFFAOYSA-N

Canonic Smiles

CCc1ccc(s1)S(=O)(=O)Cl

Isomeric Smiles

S(=O)(=O)(c1sc(cc1)CC)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.9564161

LogD (pH = 7.4)

2.9564161

Log P

2.9564161

Molar Refractivity

46.0982

Polarizability

18.776705

Polar Surface Area

34.14

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