Molecule

ID:88736

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂
Molecular Mass
237.09586
Exact Mass
235.9949103
Charge
0
InChI
InChI=1S/C10H9BrN2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h2-5H,1H3,(H2,12,13)
InChIKey
DSLIUGWNXLNDDU-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2c(N)ccnc2cc1C
Isomeric Smiles
n1ccc(c2cc(c(cc12)C)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2810684
LogD (pH = 7.4)
2.0543988
Log P
2.5841486
Molar Refractivity
57.3437
Polarizability
22.517454
Polar Surface Area
38.91
Rotatable Bonds
0
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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