Molecule

ID:67692

General Information

Structure

MolImage

Molecular Formula

C₈H₅BrS

Molecular Mass

213.0943

Exact Mass

211.92953316

Charge

0

InChI

InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H

InChIKey

OQIMJOXSDVGEBU-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc2c(c1)scc2

Isomeric Smiles

c1cc2c(s1)cc(cc2)Br

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6180232

LogD (pH = 7.4)

3.6180232

Log P

3.6180232

Molar Refractivity

47.0209

Polarizability

19.197426

Polar Surface Area

0.0

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