Molecule

ID:24774

General Information

Structure

MolImage

Molecular Formula

C₃H₆N₄S

Molecular Mass

130.17154

Exact Mass

130.03131721

Charge

0

InChI

InChI=1S/C3H6N4S/c1-2-6-7-3(5-4)8-2/h4H2,1H3,(H,5,7)

InChIKey

PSWYDEPZBJNSQS-UHFFFAOYSA-N

Canonic Smiles

Cc1nnc(s1)NN

Isomeric Smiles

c1(sc(nn1)C)NN

Calculated Properties

JChem

Acid pKa

3.2372715

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

-0.9412228

LogD (pH = 7.4)

-0.9388958

Log P

-0.052750755

Molar Refractivity

35.0099

Polarizability

11.6662035

Polar Surface Area

63.83

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