Molecule

ID:41534

General Information

Structure

Molecular Formula

C₈H₇IO₂

Molecular Mass

262.04445

Exact Mass

261.94907746

Charge

0

InChI

InChI=1S/C8H7IO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3

InChIKey

SNIVHZRVLQLTLY-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Oc1ccccc1I

Isomeric Smiles

O(c1c(I)cccc1)C(=O)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.5094512

LogD (pH = 7.4)

2.5094512

Log P

2.5094512

Molar Refractivity

50.5529

Polarizability

20.002558

Polar Surface Area

26.3

Rotatable Bonds

2

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