Molecule

ID:7202

General Information

Structure

Molecular Formula

C₇H₄FNS₂

Molecular Mass

185.2417632

Exact Mass

184.97691935

Charge

0

InChI

InChI=1S/C7H4FNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

InChIKey

JXMNNMYCHOHEDG-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc2c(c1)nc(s2)S

Isomeric Smiles

c1(ccc2c(c1)nc(s2)S)F

Calculated Properties

JChem

Acid pKa

6.807022

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.0135026

LogD (pH = 7.4)

2.4013994

Log P

3.0336308

Molar Refractivity

44.8282

Polarizability

18.354204

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