Molecule

ID:88913

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Br₂N
Molecular Mass
302.99316
Exact Mass
300.91017329
Charge
0
InChI
InChI=1S/C10H8BrN.BrH/c11-6-8-1-2-9-3-4-12-7-10(9)5-8;/h1-5,7H,6H2;1H
InChIKey
ILUMYCASODISJM-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc2c(c1)cncc2.Br
Isomeric Smiles
n1ccc2c(c1)cc(cc2)CBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3550017
LogD (pH = 7.4)
2.5151732
Log P
2.5177875
Molar Refractivity
53.2017
Polarizability
21.339151
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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