Molecule

ID:67121

General Information

Structure

MolImage

Molecular Formula

C₇H₅IN₂

Molecular Mass

244.03247

Exact Mass

243.94974617

Charge

0

InChI

InChI=1S/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

InChIKey

UDKYMMQGPNFWDA-UHFFFAOYSA-N

Canonic Smiles

Ic1n[nH]c2c1cccc2

Isomeric Smiles

[nH]1nc(c2ccccc12)I

Calculated Properties

JChem

Acid pKa

10.631521

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.2578359

LogD (pH = 7.4)

2.2575912

Log P

2.2578397

Molar Refractivity

49.1437

Polarizability

19.79586

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

No Data Available

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Molecule Details

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References

Bioactivity