Molecule

ID:69147

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂
Molecular Mass
187.03718
Exact Mass
185.97926023
Charge
0
InChI
InChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKey
SQOJDBHJUUGQJP-UHFFFAOYSA-N
Canonic Smiles
CCc1ncc(cn1)Br
Isomeric Smiles
c1(ncc(cn1)Br)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9753978
LogD (pH = 7.4)
1.9754379
Log P
1.9754384
Molar Refractivity
39.5964
Polarizability
15.031334
Polar Surface Area
25.78
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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