Molecule

ID:52874

General Information

Structure

Molecular Formula

C₃H₆O₂S

Molecular Mass

106.14354

Exact Mass

106.00885043

Charge

0

InChI

InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2

InChIKey

FCFMKFHUNDYKEG-UHFFFAOYSA-N

Canonic Smiles

O=S1(=O)CCC1

Isomeric Smiles

S1(=O)(=O)CCC1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-1.1081585

LogD (pH = 7.4)

-1.1081585

Log P

-1.1081585

Molar Refractivity

23.2634

Polarizability

9.774514

Polar Surface Area

34.14

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity