Molecule

ID:22501

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Br₂N₂
Molecular Mass
305.9971
Exact Mass
303.92107233
Charge
0
InChI
InChI=1S/C9H9BrN2.BrH/c1-12-8-5-3-2-4-7(8)11-9(12)6-10;/h2-5H,6H2,1H3;1H
InChIKey
WHMCWOHHFOGLGP-UHFFFAOYSA-N
Canonic Smiles
BrCc1nc2c(n1C)cccc2.Br
Isomeric Smiles
n1c(n(c2c1cccc2)C)CBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2147887
LogD (pH = 7.4)
2.327422
Log P
2.329084
Molar Refractivity
52.0426
Polarizability
20.849867
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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