Molecule

ID:64723

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrN
Molecular Mass
208.05464
Exact Mass
206.9683612
Charge
0
InChI
InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey
SCRBSGZBTHKAHU-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)cncc2Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.508332
LogD (pH = 7.4)
2.5137334
Log P
2.5138028
Molar Refractivity
47.9741
Polarizability
19.612326
Polar Surface Area
12.89
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