Molecule

ID:34167

General Information

Structure

MolImage

Molecular Formula

C₈H₁₀BrN

Molecular Mass

200.0757

Exact Mass

198.99966133

Charge

0

InChI

InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3

InChIKey

LIBZHYLTOAGURM-UHFFFAOYSA-N

Canonic Smiles

Brc1cccc(c1)C(N)C

Isomeric Smiles

c1(cccc(c1)C(N)C)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.71593034

LogD (pH = 7.4)

0.10885324

Log P

2.2843418

Molar Refractivity

46.573

Polarizability

18.25137

Polar Surface Area

26.02

Rotatable Bonds

1

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