Molecule

ID:67969

General Information

Structure

Molecular Formula

C₉H₆ClN

Molecular Mass

163.60364

Exact Mass

163.01887688

Charge

0

InChI

InChI=1S/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

InChIKey

LBEQEEIDWHKVAR-UHFFFAOYSA-N

Canonic Smiles

Clc1cncc2c1cccc2

Isomeric Smiles

c1ncc(c2ccccc12)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.3449566

LogD (pH = 7.4)

2.3490424

Log P

2.3490949

Molar Refractivity

45.1561

Polarizability

18.849392

Polar Surface Area

12.89

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity