Molecule

ID:89195

General Information
Structure
MolImage
Molecular Formula
C₉H₈Br₂O₂
Molecular Mass
307.96662
Exact Mass
305.8891035
Charge
0
InChI
InChI=1S/C9H8Br2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3
InChIKey
SRLAXDDPVYZYNI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)c(c(c1)Br)C
Isomeric Smiles
O=C(c1cc(c(c(c1)Br)C)Br)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0276494
LogD (pH = 7.4)
4.0276494
Log P
4.0276494
Molar Refractivity
58.3701
Polarizability
22.433157
Polar Surface Area
26.3
Rotatable Bonds
2
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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