Molecule

ID:87001

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₂I
Molecular Mass
375.82707
Exact Mass
373.78027216
Charge
0
InChI
InChI=1S/C7H5Br2I/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
VLVXYJATBIXIPF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Br)c(c(c1)Br)I
Isomeric Smiles
Ic1c(cc(cc1Br)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.953117
LogD (pH = 7.4)
4.953117
Log P
4.953117
Molar Refractivity
59.7073
Polarizability
23.46162
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
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Molecule Details
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References
Bioactivity
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