Molecule

ID:41429

General Information

Structure

MolImage

Molecular Formula

C₅H₇N₃O₂

Molecular Mass

141.12798

Exact Mass

141.05382648

Charge

0

InChI

InChI=1S/C5H7N3O2/c1-10-5(9)2-8-4-6-3-7-8/h3-4H,2H2,1H3

InChIKey

KRKABMNEWUTJQT-UHFFFAOYSA-N

Canonic Smiles

COC(=O)Cn1cncn1

Isomeric Smiles

n1cnn(CC(=O)OC)c1

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

-0.6617367

LogD (pH = 7.4)

-0.6615389

Log P

-0.6615364

Molar Refractivity

44.9892

Polarizability

12.663571

Polar Surface Area

57.01

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity