Molecule

ID:91100

General Information
Structure
MolImage
Molecular Formula
C₂H₄BrNO
Molecular Mass
137.96326
Exact Mass
136.94762575
Charge
0
InChI
InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey
JUIKUQOUMZUFQT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CBr
Isomeric Smiles
BrCC(=O)N
Calculated Properties
JChem
Acid pKa
13.193582
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.30744925
LogD (pH = 7.4)
-0.30744863
Log P
-0.30744925
Molar Refractivity
22.2026
Polarizability
8.719716
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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