Molecule

ID:72167

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇IO₂

Molecular Mass

272.12385

Exact Mass

272.02732778

Charge

0

InChI

InChI=1S/C8H17IO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7H2,1-2H3

InChIKey

SICAGLWXWIDTFM-UHFFFAOYSA-N

Canonic Smiles

ICCCC(OCC)OCC

Isomeric Smiles

C(CC(OCC)OCC)CI

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.7459517

LogD (pH = 7.4)

2.7459517

Log P

2.7459517

Molar Refractivity

55.4867

Polarizability

21.909178

Polar Surface Area

18.46

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

No Data Available

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Molecule Details

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References

Bioactivity