Molecule

ID:68990

General Information

Structure

MolImage

Molecular Formula

C₆H₇NO₂S

Molecular Mass

157.19028

Exact Mass

157.01974947

Charge

0

InChI

InChI=1S/C6H7NO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,7H2,1H3

InChIKey

HCRQNZWIOUMCOW-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cc(cs1)N

Isomeric Smiles

c1(cc(cs1)N)C(=O)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.0606782

LogD (pH = 7.4)

1.0606782

Log P

1.0606782

Molar Refractivity

39.6736

Polarizability

14.620685

Polar Surface Area

52.32

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

No Data Available

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Molecule Details

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References

Bioactivity