Molecule

ID:80568

General Information

Structure

MolImage

Molecular Formula

C₅H₄N₂OS

Molecular Mass

140.16306

Exact Mass

140.00443376

Charge

0

InChI

InChI=1S/C5H4N2OS/c1-4-2-5(6-3-9)7-8-4/h2H,1H3

InChIKey

YADFBVUOBWXDRZ-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(no1)N=C=S

Isomeric Smiles

n1c(cc(o1)C)N=C=S

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.1536353

LogD (pH = 7.4)

2.1536353

Log P

2.1536353

Molar Refractivity

40.0261

Polarizability

13.796598

Polar Surface Area

38.39

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity