Molecule

ID:74235

General Information

Structure

MolImage

Molecular Formula

C₈H₉Cl₂N

Molecular Mass

190.06976

Exact Mass

189.01120465

Charge

0

InChI

InChI=1S/C8H9Cl2N/c1-11(2)7-5-3-4-6(9)8(7)10/h3-5H,1-2H3

InChIKey

DXWYDTKXGNLLLF-UHFFFAOYSA-N

Canonic Smiles

CN(c1cccc(c1Cl)Cl)C

Isomeric Smiles

Clc1c(cccc1Cl)N(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.2893748

LogD (pH = 7.4)

3.289379

Log P

3.2893791

Molar Refractivity

50.0962

Polarizability

18.932007

Polar Surface Area

3.24

Rotatable Bonds

1

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