Molecule

ID:84546

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Br₂O₃
Molecular Mass
374.0247
Exact Mass
371.89966818
Charge
0
InChI
InChI=1S/C13H10Br2O3/c1-17-12-10(13(16)18-2)6-7-5-8(14)3-4-9(7)11(12)15/h3-6H,1-2H3
InChIKey
HOLPDXPBBBQZLM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2cc(Br)ccc2c(c1OC)Br
Isomeric Smiles
O=C(c1cc2c(ccc(c2)Br)c(c1OC)Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3460336
LogD (pH = 7.4)
4.3460336
Log P
4.3460336
Molar Refractivity
76.2423
Polarizability
30.449104
Polar Surface Area
35.53
Rotatable Bonds
3
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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