Molecule

ID:101856

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂
Molecular Mass
237.09586
Exact Mass
235.9949103
Charge
0
InChI
InChI=1S/C10H9BrN2/c1-13-10(6-7-12-13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKey
CVCDEENQBMSJCX-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1ccnn1C
Isomeric Smiles
c1(n(ncc1)C)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7369623
LogD (pH = 7.4)
2.7370834
Log P
2.7370849
Molar Refractivity
67.5979
Polarizability
22.515366
Polar Surface Area
17.82
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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