Molecule

ID:57273

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀BrNO₂
Molecular Mass
208.0531
Exact Mass
206.98949057
Charge
0
InChI
InChI=1S/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
InChIKey
LLLQAMNGYJQUKK-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)N1CCOCC1
Isomeric Smiles
N1(C(=O)CBr)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.078597575
LogD (pH = 7.4)
-0.078597575
Log P
-0.078597575
Molar Refractivity
41.0705
Polarizability
15.919663
Polar Surface Area
29.54
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
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