Molecule

ID:13038

General Information

Structure

MolImage

Molecular Formula

C₅H₉NO₂S

Molecular Mass

147.19546

Exact Mass

147.03539953

Charge

0

InChI

InChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3

InChIKey

NHBNAVLHRAPNKY-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CSCN1

Isomeric Smiles

C1(NCSC1)C(=O)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.1713498

LogD (pH = 7.4)

-0.091955744

Log P

-0.090843506

Molar Refractivity

35.5932

Polarizability

14.605435

Polar Surface Area

38.33

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