Molecule

ID:69825

General Information

Structure

MolImage

Molecular Formula

C₁₀H₇BrO

Molecular Mass

223.06598

Exact Mass

221.96802684

Charge

0

InChI

InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H

InChIKey

YLDFTMJPQJXGSS-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)ccc(c2)Br

Isomeric Smiles

c1c(ccc2cc(ccc12)Br)O

Calculated Properties

JChem

Acid pKa

9.781428

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.4278872

LogD (pH = 7.4)

3.42612

Log P

3.4279099

Molar Refractivity

52.1119

Polarizability

21.104137

Polar Surface Area

20.23

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

References

Bioactivity