Molecule

ID:90642

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₂NO
Molecular Mass
278.9287
Exact Mass
276.87378779
Charge
0
InChI
InChI=1S/C7H5Br2NO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
InChIKey
IOFGMNBDIDEBIQ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(Br)cc(c1)Br
Isomeric Smiles
Brc1cc(cc(c1)C(=O)N)Br
Calculated Properties
JChem
Acid pKa
13.86785
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3613908
LogD (pH = 7.4)
2.3613915
Log P
2.3613913
Molar Refractivity
50.382
Polarizability
19.162283
Polar Surface Area
43.09
Rotatable Bonds
1
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