Molecule

ID:67798

General Information

Structure

MolImage

Molecular Formula

C₇H₅ClN₂S

Molecular Mass

184.646

Exact Mass

183.98619685

Charge

0

InChI

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

InChIKey

YPTWPDOGEAHMOR-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)sc(n2)Cl

Isomeric Smiles

s1c(nc2c1cc(cc2)N)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.1979866

LogD (pH = 7.4)

2.1985528

Log P

2.1985602

Molar Refractivity

46.855

Polarizability

18.734503

Polar Surface Area

38.91

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity