Molecule

ID:64366

General Information

Structure

Molecular Formula

C₇H₅NS

Molecular Mass

135.1863

Exact Mass

135.01427017

Charge

0

InChI

InChI=1S/C7H5NS/c1-3-8-5-7-6(1)2-4-9-7/h1-5H

InChIKey

GDQBPBMIAFIRIU-UHFFFAOYSA-N

Canonic Smiles

c1ncc2c(c1)ccs2

Isomeric Smiles

s1ccc2c1cncc2

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.610804

LogD (pH = 7.4)

1.6313286

Log P

1.6315982

Molar Refractivity

37.2412

Polarizability

15.614534

Polar Surface Area

12.89

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