Molecule

ID:87184

General Information
Structure
MolImage
Molecular Formula
C₄H₆BrNO₄
Molecular Mass
211.99874
Exact Mass
210.94801968
Charge
0
InChI
InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
InChIKey
XVBRCOKDZVQYAY-UHFFFAOYSA-N
Canonic Smiles
BrC1(COCOC1)[N+](=O)[O-]
Isomeric Smiles
O1CC(COC1)(Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0392845
LogD (pH = 7.4)
1.0392845
Log P
1.0392845
Molar Refractivity
34.0026
Polarizability
14.016973
Polar Surface Area
61.6
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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