Molecule

ID:21947

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClN₂O₂
Molecular Mass
237.43858
Exact Mass
235.89881699
Charge
0
InChI
InChI=1S/C5H2BrClN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChIKey
VFMIDVIAQMFGGP-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)[N+](=O)[O-])Br
Isomeric Smiles
c1(cnc(c(c1)[N+](=O)[O-])Br)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.273877
LogD (pH = 7.4)
2.273877
Log P
2.273877
Molar Refractivity
43.4914
Polarizability
16.508562
Polar Surface Area
56.03
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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