Molecule

ID:88369

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀ClN

Molecular Mass

119.5926

Exact Mass

119.05017701

Charge

0

InChI

InChI=1S/C5H9N.ClH/c1-4-2-6-3-5(1)4;/h4-6H,1-3H2;1H

InChIKey

WJXYUEOVOQGJGV-UHFFFAOYSA-N

Canonic Smiles

N1CC2C(C1)C2.Cl

Isomeric Smiles

N1CC2CC2C1.Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-3.205943

LogD (pH = 7.4)

-3.1014907

Log P

0.03457008

Molar Refractivity

24.7744

Polarizability

10.013423

Polar Surface Area

12.03

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