Molecule

ID:16235

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Br₂O₄
Molecular Mass
400.01892
Exact Mass
397.87893274
Charge
0
InChI
InChI=1S/C14H8Br2O4/c15-7-3-11-12(4-8(7)16)20-14-6-10-9(5-13(14)19-11)17-1-2-18-10/h3-6H,1-2H2
InChIKey
IHIJYSGTZHAVKH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2Oc3cc4OCCOc4cc3Oc2cc1Br
Isomeric Smiles
c12c(Oc3c(O1)cc(c(c3)Br)Br)cc1c(c2)OCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0512123
LogD (pH = 7.4)
4.0512123
Log P
4.0512123
Molar Refractivity
78.6846
Polarizability
30.86385
Polar Surface Area
36.92
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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