Molecule

ID:8503

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrN
Molecular Mass
208.05464
Exact Mass
206.9683612
Charge
0
InChI
InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey
PIWNKSHCLTZKSZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1nccc2
Isomeric Smiles
Brc1c2c(ccc1)cccn2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8976088
LogD (pH = 7.4)
2.8996272
Log P
2.8996532
Molar Refractivity
47.6021
Polarizability
19.618155
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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