Molecule

ID:27370

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₀N₂O₂S

Molecular Mass

222.2636

Exact Mass

222.04629857

Charge

0

InChI

InChI=1S/C10H10N2O2S/c11-12-15(13,14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,11H2

InChIKey

OPTPEWSLEFFPTF-UHFFFAOYSA-N

Canonic Smiles

NNS(=O)(=O)c1ccc2c(c1)cccc2

Isomeric Smiles

S(=O)(=O)(c1cc2c(cc1)cccc2)NN

Calculated Properties

JChem

Acid pKa

9.918095

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

1.2723439

LogD (pH = 7.4)

1.2814927

Log P

1.2722776

Molar Refractivity

59.1502

Polarizability

24.52933

Polar Surface Area

72.19

Rotatable Bonds

1

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