Molecule

ID:89058

General Information
Structure
MolImage
Molecular Formula
C₇H₆Br₂O
Molecular Mass
265.92994
Exact Mass
263.87853881
Charge
0
InChI
InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
XGXUGXPKRBQINS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Br)Br
Isomeric Smiles
O(c1c(cc(cc1)Br)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3530798
LogD (pH = 7.4)
3.3530798
Log P
3.3530798
Molar Refractivity
47.7668
Polarizability
18.74039
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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