Molecule

ID:64832

General Information

Structure

MolImage

Molecular Formula

C₅H₇N₃O

Molecular Mass

125.12858

Exact Mass

125.05891186

Charge

0

InChI

InChI=1S/C5H7N3O/c6-5(9)4-2-1-3-8(4)7/h1-3H,7H2,(H2,6,9)

InChIKey

WXHLTDFUEACLBE-UHFFFAOYSA-N

Canonic Smiles

NC(=O)c1cccn1N

Isomeric Smiles

n1(cccc1C(=O)N)N

Calculated Properties

JChem

Acid pKa

14.725852

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-0.49192196

LogD (pH = 7.4)

-0.49182883

Log P

-0.49182767

Molar Refractivity

35.6675

Polarizability

12.046161

Polar Surface Area

74.04

Rotatable Bonds

1

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