Molecule

ID:84355

General Information

Structure

Molecular Formula

C₁₀H₁₃I

Molecular Mass

260.11469

Exact Mass

260.00619842

Charge

0

InChI

InChI=1S/C10H13I/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3

InChIKey

DZOSRDFXDIXEEL-UHFFFAOYSA-N

Canonic Smiles

Ic1cccc(c1)C(C)(C)C

Isomeric Smiles

Ic1cccc(c1)C(C)(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.4472466

LogD (pH = 7.4)

4.4472466

Log P

4.4472466

Molar Refractivity

58.0864

Polarizability

22.623896

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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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