Molecule

ID:59203

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrN₃
Molecular Mass
188.02524
Exact Mass
186.97450921
Charge
0
InChI
InChI=1S/C5H6BrN3/c6-4-2-1-3-5(8-4)9-7/h1-3H,7H2,(H,8,9)
InChIKey
PQMFVUNERGGBPG-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(n1)Br
Isomeric Smiles
c1c(nc(cc1)NN)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6424277
LogD (pH = 7.4)
1.7149407
Log P
1.7159482
Molar Refractivity
42.3863
Polarizability
14.940153
Polar Surface Area
50.94
Rotatable Bonds
1
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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