Molecule

ID:17808

General Information

Structure

MolImage

Molecular Formula

C₅H₇ClN₂O₂S

Molecular Mass

194.63928

Exact Mass

193.99167615

Charge

0

InChI

InChI=1S/C5H7ClN2O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3

InChIKey

GCPANMWERFHRFN-UHFFFAOYSA-N

Canonic Smiles

CCn1ncc(c1)S(=O)(=O)Cl

Isomeric Smiles

S(=O)(=O)(c1cn(nc1)CC)Cl

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

0.7042146

LogD (pH = 7.4)

0.70421684

Log P

0.70421684

Molar Refractivity

53.9042

Polarizability

16.94517

Polar Surface Area

51.96

Rotatable Bonds

2

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