Molecule

ID:85111

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄BrNO

Molecular Mass

208.09616

Exact Mass

207.02587607

Charge

0

InChI

InChI=1S/C7H14BrNO/c1-7(2,3)5(8)6(10)9-4/h5H,1-4H3,(H,9,10)

InChIKey

GMQFDBJCQPEPSR-UHFFFAOYSA-N

Canonic Smiles

CNC(=O)C(C(C)(C)C)Br

Isomeric Smiles

O=C(C(C(C)(C)C)Br)NC

Calculated Properties

JChem

Acid pKa

13.552955

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.7504871

LogD (pH = 7.4)

1.7504869

Log P

1.7504871

Molar Refractivity

44.9869

Polarizability

17.615847

Polar Surface Area

29.1

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity