Molecule

ID:12663

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrN
Molecular Mass
208.05464
Exact Mass
206.9683612
Charge
0
InChI
InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChIKey
IFIHYLCUKYCKRH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cccn2
Isomeric Smiles
c1(ccc2c(c1)cccn2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8947046
LogD (pH = 7.4)
2.8995905
Log P
2.8996532
Molar Refractivity
47.6021
Polarizability
19.609472
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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