Molecule

ID:67844

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrN₃
Molecular Mass
188.02524
Exact Mass
186.97450921
Charge
0
InChI
InChI=1S/C5H6BrN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9)
InChIKey
CMFSWSZEHYPECE-UHFFFAOYSA-N
Canonic Smiles
Nc1c(N)cncc1Br
Isomeric Smiles
c1c(c(c(cn1)Br)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0980194
LogD (pH = 7.4)
-0.5506541
Log P
-0.1335259
Molar Refractivity
40.9247
Polarizability
14.644499
Polar Surface Area
64.93
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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