Molecule

ID:65639

General Information

Structure

Molecular Formula

C₈H₁₀INO₃

Molecular Mass

295.07437

Exact Mass

294.97054119

Charge

0

InChI

InChI=1S/C8H10INO3/c1-11-6-4-5(9)7(12-2)8(10-6)13-3/h4H,1-3H3

InChIKey

QPBDISDYFYSWIM-UHFFFAOYSA-N

Canonic Smiles

COc1cc(I)c(c(n1)OC)OC

Isomeric Smiles

c1c(nc(c(c1I)OC)OC)OC

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

2.4004173

LogD (pH = 7.4)

2.400419

Log P

2.4004192

Molar Refractivity

57.2802

Polarizability

22.368559

Polar Surface Area

40.58

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity