Molecule

ID:109805

General Information

Structure

MolImage

Molecular Formula

C₇H₉ClNO

Molecular Mass

158.60546

Exact Mass

158.03726659

Charge

0

InChI

InChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H

InChIKey

VQYJLACQFYZHCO-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)[NH2+].[Cl-]

Isomeric Smiles

[Cl-].COc1ccc([NH2+])cc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

0.8393778

LogD (pH = 7.4)

0.984442

Log P

0.9866486

Molar Refractivity

47.4524

Polarizability

14.279476

Polar Surface Area

36.87

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity