Molecule

ID:82005

General Information
Structure
MolImage
Molecular Formula
C₃H₆BrNO
Molecular Mass
151.98984
Exact Mass
150.96327582
Charge
0
InChI
InChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
InChIKey
AUHYZQCEIVEMFH-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N)Br
Isomeric Smiles
O=C(C(Br)C)N
Calculated Properties
JChem
Acid pKa
13.380811
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.261315
LogD (pH = 7.4)
0.2613154
Log P
0.261315
Molar Refractivity
26.6965
Polarizability
10.470498
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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