Molecule

ID:85791

General Information

Structure

MolImage

Molecular Formula

C₇H₃Cl₂NS

Molecular Mass

204.07642

Exact Mass

202.93632546

Charge

0

InChI

InChI=1S/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

InChIKey

WVBNZZHGECFCSH-UHFFFAOYSA-N

Canonic Smiles

S=C=Nc1ccc(cc1Cl)Cl

Isomeric Smiles

N(=C=S)c1c(cc(cc1)Cl)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.20316

LogD (pH = 7.4)

4.2031603

Log P

4.2031603

Molar Refractivity

52.7305

Polarizability

19.793451

Polar Surface Area

12.36

Rotatable Bonds

1

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