Molecule

ID:34428

General Information

Structure

MolImage

Molecular Formula

C₈H₁₈N₂O₂S

Molecular Mass

206.30572

Exact Mass

206.10889883

Charge

0

InChI

InChI=1S/C8H18N2O2S/c9-5-8-13(11,12)10-6-3-1-2-4-7-10/h1-9H2

InChIKey

NUQMYTVRCBDREG-UHFFFAOYSA-N

Canonic Smiles

NCCS(=O)(=O)N1CCCCCC1

Isomeric Smiles

NCCS(=O)(=O)N1CCCCCC1

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-3.126631

LogD (pH = 7.4)

-1.5200835

Log P

-0.43775716

Molar Refractivity

52.6769

Polarizability

21.597046

Polar Surface Area

63.4

Rotatable Bonds

2

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