Molecule

ID:89154

General Information

Structure

Molecular Formula

C₃H₂BrNO

Molecular Mass

147.95808

Exact Mass

146.93197569

Charge

0

InChI

InChI=1S/C3H2BrNO/c4-3-1-2-6-5-3/h1-2H

InChIKey

GQMPHUXGZCDVGQ-UHFFFAOYSA-N

Canonic Smiles

Brc1ccon1

Isomeric Smiles

o1nc(cc1)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.3120658

LogD (pH = 7.4)

1.3120658

Log P

1.3120658

Molar Refractivity

25.965

Polarizability

9.53148

Polar Surface Area

26.03

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