Molecule

ID:79296

General Information

Structure

Molecular Formula

C₁₀H₁₁IO₂

Molecular Mass

290.09761

Exact Mass

289.98037759

Charge

0

InChI

InChI=1S/C10H11IO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3

InChIKey

SVWOPCVCIDLBEY-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1cc(C)ccc1I

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.7758965

LogD (pH = 7.4)

3.7758965

Log P

3.7758965

Molar Refractivity

61.2356

Polarizability

23.525164

Polar Surface Area

26.3

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity