Molecule

ID:64793

General Information

Structure

MolImage

Molecular Formula

C₇H₄IN₃

Molecular Mass

257.03123

Exact Mass

256.94499514

Charge

0

InChI

InChI=1S/C7H4IN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H

InChIKey

FYCNIEVXOCZGKK-UHFFFAOYSA-N

Canonic Smiles

Ic1cnc2c(c1)nccn2

Isomeric Smiles

c1c(cc2c(n1)nccn2)I

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.3352721

LogD (pH = 7.4)

1.335354

Log P

1.3353549

Molar Refractivity

50.2288

Polarizability

19.681376

Polar Surface Area

38.67

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