Molecule

ID:53753

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆O₃

Molecular Mass

160.21084

Exact Mass

160.10994437

Charge

0

InChI

InChI=1S/C8H16O3/c1-2-5-8(10)11-7-4-3-6-9/h9H,2-7H2,1H3

InChIKey

HKHMPQJGZDCJAG-UHFFFAOYSA-N

Canonic Smiles

CCCC(=O)OCCCCO

Isomeric Smiles

C(=O)(OCCCCO)CCC

Calculated Properties

JChem

Acid pKa

15.970717

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.95487326

LogD (pH = 7.4)

0.95487326

Log P

0.95487326

Molar Refractivity

42.443

Polarizability

16.871761

Polar Surface Area

46.53

Rotatable Bonds

7

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