Molecule

ID:68224

General Information

Structure

MolImage

Molecular Formula

C₇H₅ClN₂

Molecular Mass

152.581

Exact Mass

152.01412585

Charge

0

InChI

InChI=1S/C7H5ClN2/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4,10H

InChIKey

ZBEYLQBHTDNDDR-UHFFFAOYSA-N

Canonic Smiles

Clc1ccnc2c1[nH]cc2

Isomeric Smiles

[nH]1ccc2nccc(c12)Cl

Calculated Properties

JChem

Acid pKa

13.4787245

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.838397

LogD (pH = 7.4)

1.844156

Log P

1.8442304

Molar Refractivity

39.4204

Polarizability

16.526623

Polar Surface Area

28.68

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