Molecule

ID:106059

General Information

Structure

MolImage

Molecular Formula

CNNaS

Molecular Mass

81.07217

Exact Mass

80.96491429

Charge

0

InChI

InChI=1S/CNS.Na/c2-1-3;/q-1;+1

InChIKey

RROSXLCQOOGZBR-UHFFFAOYSA-N

Canonic Smiles

[N-]=C=S.[Na+]

Isomeric Smiles

[Na+].[N-]=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.84597397

LogD (pH = 7.4)

0.84597397

Log P

0.84597397

Molar Refractivity

14.3753

Polarizability

6.057175

Polar Surface Area

17.07

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity