Molecule

ID:68078

General Information

Structure

MolImage

Molecular Formula

C₇H₅ClN₂S

Molecular Mass

184.646

Exact Mass

183.98619685

Charge

0

InChI

InChI=1S/C7H5ClN2S/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H,9H2

InChIKey

CTSXDZRWGMASOV-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)nc(s2)Cl

Isomeric Smiles

s1c(nc2c1ccc(c2)N)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.1978655

LogD (pH = 7.4)

2.1985514

Log P

2.1985602

Molar Refractivity

46.855

Polarizability

18.74163

Polar Surface Area

38.91

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