Molecule

ID:87244

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Br₂N
Molecular Mass
302.99316
Exact Mass
300.91017329
Charge
0
InChI
InChI=1S/C10H8BrN.BrH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-5,7H,6H2;1H
InChIKey
UVADKWYZZBPGTB-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc2c(c1)ccnc2.Br
Isomeric Smiles
n1cc2c(cc(cc2)CBr)cc1.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3700247
LogD (pH = 7.4)
2.5154705
Log P
2.5177875
Molar Refractivity
53.2017
Polarizability
21.339218
Polar Surface Area
12.89
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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