Molecule

ID:25987

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Br₂O₂
Molecular Mass
370.036
Exact Mass
367.90475356
Charge
0
InChI
InChI=1S/C14H10Br2O2/c15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17/h1-8H,9H2
InChIKey
FEJYDIIUCHKBGH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OCc1ccc(cc1)Br
Isomeric Smiles
c1(c(OCc2ccc(Br)cc2)ccc(c1)Br)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7900553
LogD (pH = 7.4)
4.7900553
Log P
4.7900553
Molar Refractivity
78.9634
Polarizability
30.00541
Polar Surface Area
26.3
Rotatable Bonds
4
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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