Molecule

ID:44572

General Information

Structure

Molecular Formula

C₇H₇N₃

Molecular Mass

133.15058

Exact Mass

133.06399724

Charge

0

InChI

InChI=1S/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,8H2

InChIKey

XSNBOUDHWWROII-UHFFFAOYSA-N

Canonic Smiles

Nc1cccc2n1ccn2

Isomeric Smiles

n12c(ncc2)cccc1N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.8341656

LogD (pH = 7.4)

-0.050210427

Log P

0.01991448

Molar Refractivity

39.8901

Polarizability

14.423902

Polar Surface Area

43.32

Rotatable Bonds

0

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