Molecule

ID:75834

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₂NO₂
Molecular Mass
270.89558
Exact Mass
268.86459567
Charge
0
InChI
InChI=1S/C6H2BrCl2NO2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H
InChIKey
NDJFXRVGCQJCSF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(cc1Br)Cl
Isomeric Smiles
Clc1c(cc(c(c1)[N+](=O)[O-])Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8900719
LogD (pH = 7.4)
3.8900719
Log P
3.8900719
Molar Refractivity
50.6151
Polarizability
19.238956
Polar Surface Area
45.82
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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