Molecule

ID:38380

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₃
Molecular Mass
328.8266
Exact Mass
325.79413616
Charge
0
InChI
InChI=1S/C7H5Br3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
InChIKey
KZZJNNUPNNBCCH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(cc1C)Br
Isomeric Smiles
Cc1c(Br)cc(Br)c(Br)c1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.792925
LogD (pH = 7.4)
4.792925
Log P
4.792925
Molar Refractivity
53.9676
Polarizability
21.064203
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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