Molecule

ID:70343

General Information

Structure

MolImage

Molecular Formula

C₈H₇NS

Molecular Mass

149.21288

Exact Mass

149.02992023

Charge

0

InChI

InChI=1S/C8H7NS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H,9H2

InChIKey

VJYJBBMMLIDJEF-UHFFFAOYSA-N

Canonic Smiles

Nc1cc2c(s1)cccc2

Isomeric Smiles

c12c(cc(s1)N)cccc2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.1863406

LogD (pH = 7.4)

2.1863406

Log P

2.1863406

Molar Refractivity

43.2584

Polarizability

17.649391

Polar Surface Area

26.02

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