Molecule

ID:51986

General Information

Structure

MolImage

Molecular Formula

C₉H₇NOS

Molecular Mass

177.22298

Exact Mass

177.02483485

Charge

0

InChI

InChI=1S/C9H7NOS/c1-7-4-2-3-5-8(7)9(11)10-6-12/h2-5H,1H3

InChIKey

RBNGRYSMNUHYCW-UHFFFAOYSA-N

Canonic Smiles

S=C=NC(=O)c1ccccc1C

Isomeric Smiles

C(=O)(c1c(cccc1)C)N=C=S

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.7500749

LogD (pH = 7.4)

2.7500749

Log P

2.7500749

Molar Refractivity

51.51

Polarizability

19.704042

Polar Surface Area

29.43

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