Molecule

ID:60159

General Information

Structure

MolImage

Molecular Formula

C₃H₂I₂N₂

Molecular Mass

319.87032

Exact Mass

319.83074407

Charge

0

InChI

InChI=1S/C3H2I2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

InChIKey

XMWPTVMTXKJONE-UHFFFAOYSA-N

Canonic Smiles

Ic1[nH]cnc1I

Isomeric Smiles

c1nc(c([nH]1)I)I

Calculated Properties

JChem

Acid pKa

9.873252

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.9550979

LogD (pH = 7.4)

1.9659505

Log P

1.9675379

Molar Refractivity

43.7448

Polarizability

18.318607

Polar Surface Area

28.68

Rotatable Bonds

0

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