Molecule

ID:40878

General Information

Structure

MolImage

Molecular Formula

CH₅N₃O₂

Molecular Mass

91.0693

Exact Mass

91.03817642

Charge

0

InChI

InChI=1S/CH5N3O2/c2-3-1(5)4-6/h6H,2H2,(H2,3,4,5)

InChIKey

CNRHKPRBIKMGPQ-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)NO

Isomeric Smiles

C(=O)(NN)NO

Calculated Properties

JChem

Acid pKa

9.940463

H Acceptors

3

H Donor

4

LogD (pH = 5.5)

-1.6642295

LogD (pH = 7.4)

-1.6647291

Log P

-1.6634912

Molar Refractivity

19.3913

Polarizability

7.182721

Polar Surface Area

87.38

Rotatable Bonds

0

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