Molecule

ID:65855

General Information

Structure

MolImage

Molecular Formula

C₉H₁₁IO

Molecular Mass

262.08751

Exact Mass

261.98546297

Charge

0

InChI

InChI=1S/C9H11IO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3

InChIKey

ZQDCRUZWIKKVEB-UHFFFAOYSA-N

Canonic Smiles

Ic1ccccc1C(O)(C)C

Isomeric Smiles

c1cccc(c1I)C(C)(C)O

Calculated Properties

JChem

Acid pKa

14.45292

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.8319921

LogD (pH = 7.4)

2.8319921

Log P

2.8319921

Molar Refractivity

55.2934

Polarizability

21.566408

Polar Surface Area

20.23

Rotatable Bonds

1

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