Molecule

ID:51998

General Information

Structure

MolImage

Molecular Formula

C₅H₇NO₂S

Molecular Mass

145.17958

Exact Mass

145.01974947

Charge

0

InChI

InChI=1S/C5H7NO2S/c1-8-5(7)2-3-6-4-9/h2-3H2,1H3

InChIKey

VLIJIUDWAKBKSO-UHFFFAOYSA-N

Canonic Smiles

S=C=NCCC(=O)OC

Isomeric Smiles

C(=O)(CCN=C=S)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.93054014

LogD (pH = 7.4)

0.93054014

Log P

0.93054014

Molar Refractivity

36.8822

Polarizability

14.600191

Polar Surface Area

38.66

Rotatable Bonds

4

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