Molecule

ID:57274

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀BrNO
Molecular Mass
180.043
Exact Mass
178.99457595
Charge
0
InChI
InChI=1S/C5H10BrNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
ZLDCRYWMEQJDGW-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)NC(C)C
Isomeric Smiles
C(=O)(NC(C)C)CBr
Calculated Properties
JChem
Acid pKa
13.161685
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.68960977
LogD (pH = 7.4)
0.6896091
Log P
0.68960977
Molar Refractivity
36.2667
Polarizability
14.019833
Polar Surface Area
29.1
Rotatable Bonds
2
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
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