Molecule

ID:83701

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂
Molecular Mass
237.09586
Exact Mass
235.9949103
Charge
0
InChI
InChI=1S/C10H9BrN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKey
YCVJUPIKBPADHA-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(Br)c2c(c1C)cccc2
Isomeric Smiles
n1c(c2ccccc2c(c1N)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9888852
LogD (pH = 7.4)
2.9981582
Log P
2.9982777
Molar Refractivity
58.8714
Polarizability
22.573675
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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