Molecule

ID:43816

General Information

Structure

Molecular Formula

C₅H₃ClI₂N₂

Molecular Mass

380.35266

Exact Mass

379.80742179

Charge

0

InChI

InChI=1S/C5H3ClI2N2/c6-5-3(8)4(9)2(7)1-10-5/h1H,(H2,9,10)

InChIKey

ADBYPUPWCVKWCP-UHFFFAOYSA-N

Canonic Smiles

Ic1cnc(c(c1N)I)Cl

Isomeric Smiles

c1(c(c(cnc1Cl)I)N)I

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.6086116

LogD (pH = 7.4)

2.6087563

Log P

2.6087582

Molar Refractivity

61.1926

Polarizability

23.490818

Polar Surface Area

38.91

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity