Molecule

ID:9675

General Information

Structure

MolImage

Molecular Formula

C₉H₇ClN₂

Molecular Mass

178.61828

Exact Mass

178.02977591

Charge

0

InChI

InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H

InChIKey

BARLRKAYTDVUIS-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)n1cncc1

Isomeric Smiles

n1(cncc1)c1ccc(cc1)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.1378667

LogD (pH = 7.4)

1.7409245

Log P

1.7789

Molar Refractivity

58.8112

Polarizability

19.262232

Polar Surface Area

17.82

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