Molecule

ID:87262

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrN₃
Molecular Mass
210.03076
Exact Mass
208.95885914
Charge
0
InChI
InChI=1S/C7H4BrN3/c8-5-3-9-4-6-7(5)11-2-1-10-6/h1-4H
InChIKey
ZTYZXYBIDNDPQF-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc2c1nccn2
Isomeric Smiles
n1ccnc2c(cncc12)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8501234
LogD (pH = 7.4)
0.85015815
Log P
0.8501586
Molar Refractivity
42.9163
Polarizability
17.941422
Polar Surface Area
38.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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