Molecule

ID:64502

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrN₃
Molecular Mass
240.0998
Exact Mass
239.00580934
Charge
0
InChI
InChI=1S/C9H10BrN3/c1-5-6(2)13-4-7(10)3-8(11)9(13)12-5/h3-4H,11H2,1-2H3
InChIKey
JNXOWVWCTOFBPU-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(N)c2n(c1)c(C)c(n2)C
Isomeric Smiles
c1c(cn2c(c1N)nc(c2C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32234785
LogD (pH = 7.4)
0.79110134
Log P
1.0303075
Molar Refractivity
58.0008
Polarizability
20.776346
Polar Surface Area
43.32
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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