Molecule

ID:39594

General Information

Structure

MolImage

Molecular Formula

C₄H₄N₄

Molecular Mass

108.10136

Exact Mass

108.04359615

Charge

0

InChI

InChI=1S/C4H4N4/c5-1-2-8-4-6-3-7-8/h3-4H,2H2

InChIKey

ZEDZBEBBGBQWBP-UHFFFAOYSA-N

Canonic Smiles

C(n1cncn1)C#N

Isomeric Smiles

n1cnn(c1)CC#N

Calculated Properties

JChem

Acid pKa

11.383045

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

-0.7496623

LogD (pH = 7.4)

-0.74952894

Log P

-0.7494816

Molar Refractivity

39.1994

Polarizability

9.844771

Polar Surface Area

54.5

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity