Molecule

ID:78205

General Information

Structure

MolImage

Molecular Formula

C₃H₉NO₂S

Molecular Mass

123.17406

Exact Mass

123.03539953

Charge

0

InChI

InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)

InChIKey

SJMCLWCCNYAWRQ-UHFFFAOYSA-N

Canonic Smiles

CC(S(=O)(=O)N)C

Isomeric Smiles

S(=O)(=O)(N)C(C)C

Calculated Properties

JChem

Acid pKa

12.623194

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.45748812

LogD (pH = 7.4)

-0.4574904

Log P

-0.4574881

Molar Refractivity

27.4819

Polarizability

11.6424

Polar Surface Area

60.16

Rotatable Bonds

1

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