Molecule

ID:38384

General Information

Structure

MolImage

Molecular Formula

C₉H₉IO₂

Molecular Mass

276.07103

Exact Mass

275.96472753

Charge

0

InChI

InChI=1S/C9H9IO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3

InChIKey

DHYMLHOXGMUIDZ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cc(C)ccc1I

Isomeric Smiles

C(=O)(c1c(ccc(c1)C)I)OC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.4190886

LogD (pH = 7.4)

3.4190886

Log P

3.4190886

Molar Refractivity

56.487

Polarizability

21.720415

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