Molecule

ID:69324

General Information

Structure

MolImage

Molecular Formula

C₆H₃BrIN₃

Molecular Mass

323.91659

Exact Mass

322.85550711

Charge

0

InChI

InChI=1S/C6H3BrIN3/c7-4-3-11-5(8)1-10-6(11)2-9-4/h1-3H

InChIKey

QQRGSZAMEYFXCS-UHFFFAOYSA-N

Canonic Smiles

Brc1ncc2n(c1)c(I)cn2

Isomeric Smiles

c12cnc(cn1c(cn2)I)Br

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.7993251

LogD (pH = 7.4)

1.7996756

Log P

1.79968

Molar Refractivity

53.9059

Polarizability

20.980907

Polar Surface Area

30.19

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