Molecule

ID:7222

General Information

Structure

MolImage

Molecular Formula

C₈H₁₀ClN

Molecular Mass

155.6247

Exact Mass

155.05017701

Charge

0

InChI

InChI=1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3

InChIKey

WXDWGQCDPGFBEN-UHFFFAOYSA-N

Canonic Smiles

NCc1cc(Cl)ccc1C

Isomeric Smiles

c1(ccc(c(c1)CN)C)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.75934565

LogD (pH = 7.4)

0.26569808

Log P

2.2164803

Molar Refractivity

44.3774

Polarizability

17.314463

Polar Surface Area

26.02

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