Molecule

ID:2861

General Information

Structure

MolImage

Molecular Formula

C₃H₂N₂O₃S

Molecular Mass

146.12458

Exact Mass

145.97861293

Charge

0

InChI

InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)

InChIKey

FVZITYNLUYJDOE-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1nsnc1O

Isomeric Smiles

OC(=O)c1nsnc1O

Calculated Properties

JChem

Acid pKa

2.684939

H Acceptors

5

H Donor

2

LogD (pH = 5.5)

-1.972525

LogD (pH = 7.4)

-3.7541733

Log P

1.3400229

Molar Refractivity

30.0128

Polarizability

10.629802

Polar Surface Area

83.31

Rotatable Bonds

1

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-0.26

LOG S

-1.44

Solubility (Water)

5.27e+00 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity