Molecule

ID:24885

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrN₂
Molecular Mass
146.97332
Exact Mass
145.94796011
Charge
0
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey
WVGCPEDBFHEHEZ-UHFFFAOYSA-N
Canonic Smiles
Brc1c[nH]nc1
Isomeric Smiles
n1[nH]cc(c1)Br
Calculated Properties
JChem
Acid pKa
12.545608
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0461475
LogD (pH = 7.4)
1.0461789
Log P
1.0461824
Molar Refractivity
27.3682
Polarizability
10.166458
Polar Surface Area
28.68
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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