Molecule

ID:75530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂
Molecular Mass
237.09586
Exact Mass
235.9949103
Charge
0
InChI
InChI=1S/C10H9BrN2/c1-8-2-4-10(5-3-8)13-7-9(11)6-12-13/h2-7H,1H3
InChIKey
MGVVMTZNISBYSO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1ncc(c1)Br
Isomeric Smiles
n1cc(cn1c1ccc(cc1)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3412285
LogD (pH = 7.4)
3.3412383
Log P
3.3412383
Molar Refractivity
57.0837
Polarizability
21.887018
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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