Molecule

ID:83148

General Information

Structure

Molecular Formula

C₆H₆N₄

Molecular Mass

134.13864

Exact Mass

134.05924621

Charge

0

InChI

InChI=1S/C6H6N4/c7-4-5-2-1-3-9-6(5)10-8/h1-3H,8H2,(H,9,10)

InChIKey

AZCGMWOIUKMUHD-UHFFFAOYSA-N

Canonic Smiles

NNc1ncccc1C#N

Isomeric Smiles

N#Cc1cccnc1NN

Calculated Properties

JChem

Acid pKa

17.788803

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

0.5234689

LogD (pH = 7.4)

0.5967154

Log P

0.59776974

Molar Refractivity

39.6429

Polarizability

13.831423

Polar Surface Area

74.73

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