Molecule

ID:63396

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrN₃
Molecular Mass
198.02006
Exact Mass
196.95885914
Charge
0
InChI
InChI=1S/C6H4BrN3/c7-5-2-1-3-6-9-8-4-10(5)6/h1-4H
InChIKey
HKIWBYJVFCZPIW-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2n1cnn2
Isomeric Smiles
c1n2c(cccc2Br)nn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.26782826
LogD (pH = 7.4)
0.2682011
Log P
0.26820588
Molar Refractivity
43.5574
Polarizability
15.380819
Polar Surface Area
30.19
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
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Molecule Details
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References
Bioactivity
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