Molecule

ID:105523

General Information

Structure

MolImage

Molecular Formula

C₅H₅N₅O

Molecular Mass

151.1261

Exact Mass

151.04940981

Charge

0

InChI

InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChIKey

UYTPUPDQBNUYGX-UHFFFAOYSA-N

Canonic Smiles

N=c1nc(O)c2c([nH]1)[nH]cn2

Isomeric Smiles

Oc1nc(=N)[nH]c2c1nc[nH]2

Calculated Properties

JChem

Acid pKa

6.979694

H Acceptors

5

H Donor

4

LogD (pH = 5.5)

-0.47985092

LogD (pH = 7.4)

-1.0220162

Log P

-0.4499188

Molar Refractivity

48.6059

Polarizability

13.249909

Polar Surface Area

97.15

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