Molecule

ID:83706

General Information

Structure

Molecular Formula

C₉H₉N₃

Molecular Mass

159.18786

Exact Mass

159.0796473

Charge

0

InChI

InChI=1S/C9H9N3/c10-9-8-4-2-1-3-7(8)5-6-12(9)11/h1-6,10H,11H2

InChIKey

ATUGDGFZGYEDHH-UHFFFAOYSA-N

Canonic Smiles

Nn1ccc2c(c1=N)cccc2

Isomeric Smiles

n1(c(=N)c2ccccc2cc1)N

Calculated Properties

JChem

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-1.3483495

LogD (pH = 7.4)

-0.5866535

Log P

1.0404155

Molar Refractivity

60.3919

Polarizability

18.23796

Polar Surface Area

53.11

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

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