Molecule

ID:67169

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrN₃
Molecular Mass
188.02524
Exact Mass
186.97450921
Charge
0
InChI
InChI=1S/C5H6BrN3/c1-3-5(7)8-2-4(6)9-3/h2H,1H3,(H2,7,8)
InChIKey
VZZCBPAGRWGQDG-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(n1)C)N
Isomeric Smiles
c1(c(nc(cn1)Br)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.40905544
LogD (pH = 7.4)
0.40907708
Log P
0.40907735
Molar Refractivity
39.8146
Polarizability
14.459222
Polar Surface Area
51.8
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
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References
Bioactivity
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