Molecule

ID:85278

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Br₂
Molecular Mass
277.9837
Exact Mass
275.91492432
Charge
0
InChI
InChI=1S/C9H10Br2/c1-7-2-8(5-10)4-9(3-7)6-11/h2-4H,5-6H2,1H3
InChIKey
AKDWRXXKHRUFMS-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(CBr)cc(c1)C
Isomeric Smiles
BrCc1cc(cc(c1)CBr)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0321417
LogD (pH = 7.4)
4.0321417
Log P
4.0321417
Molar Refractivity
56.8
Polarizability
21.282873
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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