Molecule

ID:102110

General Information

Structure

MolImage

Molecular Formula

C₅H₅N₅O

Molecular Mass

151.1261

Exact Mass

151.04940981

Charge

0

InChI

InChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2H,6H2,(H,7,8,9)

InChIKey

TXTRWVWGYHUIAI-UHFFFAOYSA-N

Canonic Smiles

[O-][n+]1c[nH]c2c(c1N)ncn2

Isomeric Smiles

Nc1c2ncnc2[nH]c[n+]1[O-]

Calculated Properties

JChem

Acid pKa

2.7497294

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

-1.2013761

LogD (pH = 7.4)

-1.208031

Log P

-0.21612221

Molar Refractivity

37.9534

Polarizability

13.882984

Polar Surface Area

93.05

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