Molecule

ID:67017

General Information

Structure

MolImage

Molecular Formula

C₁₀H₇BrO

Molecular Mass

223.06598

Exact Mass

221.96802684

Charge

0

InChI

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

InChIKey

OUNQUWORSXHSJN-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(c2c1cccc2)O

Isomeric Smiles

c1(ccc(c2ccccc12)Br)O

Calculated Properties

JChem

Acid pKa

8.685277

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.4276283

LogD (pH = 7.4)

3.4060993

Log P

3.4279099

Molar Refractivity

52.1119

Polarizability

21.111313

Polar Surface Area

20.23

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