Molecule

ID:67190

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrN₃
Molecular Mass
183.99348
Exact Mass
182.94320908
Charge
0
InChI
InChI=1S/C5H2BrN3/c6-5-3-8-2-4(1-7)9-5/h2-3H
InChIKey
QCDKRPNGGXLBOQ-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(n1)C#N
Isomeric Smiles
c1(cncc(n1)C#N)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.75412214
LogD (pH = 7.4)
0.75412214
Log P
0.75412214
Molar Refractivity
35.5588
Polarizability
13.439972
Polar Surface Area
49.57
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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