Molecule

ID:70841

General Information

Structure

MolImage

Molecular Formula

C₇H₅ClO₂

Molecular Mass

156.5664

Exact Mass

155.99780708

Charge

0

InChI

InChI=1S/C7H5ClO2/c8-6-1-5(4-9)2-7(10)3-6/h1-4,10H

InChIKey

BJENCCAVAIAGOF-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cc(O)cc(c1)Cl

Isomeric Smiles

C(=O)c1cc(cc(c1)O)Cl

Calculated Properties

JChem

Acid pKa

8.208745

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.9853848

LogD (pH = 7.4)

1.9239804

Log P

1.9862275

Molar Refractivity

39.4277

Polarizability

14.74168

Polar Surface Area

37.3

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