Molecule

ID:57283

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀ClNO

Molecular Mass

135.592

Exact Mass

135.04509163

Charge

0

InChI

InChI=1S/C5H10ClNO/c1-2-7-5(8)3-4-6/h2-4H2,1H3,(H,7,8)

InChIKey

HGHIRFMAVFBVDI-UHFFFAOYSA-N

Canonic Smiles

ClCCC(=O)NCC

Isomeric Smiles

C(=O)(CCCl)NCC

Calculated Properties

JChem

Acid pKa

14.1726465

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

0.32455224

LogD (pH = 7.4)

0.32455218

Log P

0.32455224

Molar Refractivity

33.5638

Polarizability

13.023137

Polar Surface Area

29.1

Rotatable Bonds

3

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