Molecule

ID:70573

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Br₂N
Molecular Mass
324.99868
Exact Mass
322.89452323
Charge
0
InChI
InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey
FIHILUSWISKVSR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c1cc(Br)ccc1[nH]2
Isomeric Smiles
[nH]1c2ccc(cc2c2cc(ccc12)Br)Br
Calculated Properties
JChem
Acid pKa
14.794287
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.628391
LogD (pH = 7.4)
4.628391
Log P
4.628391
Molar Refractivity
68.7178
Polarizability
28.43314
Polar Surface Area
15.79
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