Molecule

ID:21903

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂NO
Molecular Mass
266.918
Exact Mass
264.87378779
Charge
0
InChI
InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
HFYPXERYZGFDBD-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Br)c(c(c1)Br)O
Isomeric Smiles
c1(c(cc(cc1Br)N)Br)O
Calculated Properties
JChem
Acid pKa
7.675196
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3607242
LogD (pH = 7.4)
2.1925633
Log P
2.37826
Molar Refractivity
47.9849
Polarizability
18.096611
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation