Molecule

ID:65274

General Information

Structure

MolImage

Molecular Formula

C₄H₇NO₂S

Molecular Mass

133.16888

Exact Mass

133.01974947

Charge

0

InChI

InChI=1S/C4H7NO2S/c1-4(5(6)7)2-8-3-4/h2-3H2,1H3

InChIKey

RSGMGMVQGDWQIX-UHFFFAOYSA-N

Canonic Smiles

CC1(CSC1)[N+](=O)[O-]

Isomeric Smiles

C1(CSC1)(C)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.72103715

LogD (pH = 7.4)

0.72103715

Log P

0.72103715

Molar Refractivity

32.2561

Polarizability

12.410339

Polar Surface Area

45.82

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