Molecule

ID:63773

General Information

Structure

MolImage

Molecular Formula

C₇H₄ClNO

Molecular Mass

153.56576

Exact Mass

152.99814143

Charge

0

InChI

InChI=1S/C7H4ClNO/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H

InChIKey

YJUYPLVLAHBYCM-UHFFFAOYSA-N

Canonic Smiles

Clc1nccc2c1occ2

Isomeric Smiles

n1ccc2c(c1Cl)occ2

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.7389103

LogD (pH = 7.4)

1.7389185

Log P

1.7389187

Molar Refractivity

38.6083

Polarizability

15.768377

Polar Surface Area

26.03

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