Molecule

ID:64451

General Information
Structure
Molecular Formula
C₉H₆BrN
Molecular Mass
208.05464
Exact Mass
206.9683612
Charge
0
InChI
InChI=1S/C9H6BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChIKey
CYJZJGYYTFQQBY-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1ccnc2
Isomeric Smiles
c12c(Br)cccc1cncc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5060437
LogD (pH = 7.4)
2.513704
Log P
2.5138028
Molar Refractivity
47.9741
Polarizability
19.608044
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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