Molecule

ID:32413

General Information

Structure

MolImage

Molecular Formula

C₄H₈BrNO

Molecular Mass

166.01642

Exact Mass

164.97892588

Charge

0

InChI

InChI=1S/C4H8BrNO/c1-6(2)4(7)3-5/h3H2,1-2H3

InChIKey

QPIOVNJLOVNTMW-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)N(C)C

Isomeric Smiles

C(=O)(N(C)C)CBr

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.13990287

LogD (pH = 7.4)

0.13990287

Log P

0.13990287

Molar Refractivity

31.996

Polarizability

12.237456

Polar Surface Area

20.31

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