Molecule

ID:52887

General Information

Structure

Molecular Formula

C₄H₇IO

Molecular Mass

198.00225

Exact Mass

197.95416284

Charge

0

InChI

InChI=1S/C4H7IO/c5-3-4-1-2-6-4/h4H,1-3H2

InChIKey

JVPHNTROOBLPKR-UHFFFAOYSA-N

Canonic Smiles

ICC1CCO1

Isomeric Smiles

O1CCC1CI

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.1971067

LogD (pH = 7.4)

1.1971067

Log P

1.1971067

Molar Refractivity

33.3086

Polarizability

13.295264

Polar Surface Area

9.23

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

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Molecule Details

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References

Bioactivity