Molecule

ID:64669

General Information

Structure

MolImage

Molecular Formula

C₇H₃ClINS

Molecular Mass

295.52789

Exact Mass

294.87194578

Charge

0

InChI

InChI=1S/C7H3ClINS/c8-4-1-2-10-5-3-6(9)11-7(4)5/h1-3H

InChIKey

GYHAKTKQWPBADS-UHFFFAOYSA-N

Canonic Smiles

Ic1cc2c(s1)c(Cl)ccn2

Isomeric Smiles

c1c(sc2c1nccc2Cl)I

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.7163646

LogD (pH = 7.4)

3.7164328

Log P

3.7164335

Molar Refractivity

54.1964

Polarizability

22.761978

Polar Surface Area

12.89

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