Molecule

ID:52964

General Information

Structure

MolImage

Molecular Formula

C₇H₇Cl₂N

Molecular Mass

176.04318

Exact Mass

174.99555459

Charge

0

InChI

InChI=1S/C7H7Cl2N/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3

InChIKey

IGSFOXNHUBLZHU-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(N)c(cc1Cl)Cl

Isomeric Smiles

Nc1c(cc(c(c1)C)Cl)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.865595

LogD (pH = 7.4)

2.8658276

Log P

2.8658307

Molar Refractivity

45.4092

Polarizability

16.983742

Polar Surface Area

26.02

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

No Data Available

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Molecule Details

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References

Bioactivity