Molecule

ID:75613

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄Br₂O
Molecular Mass
394.10046
Exact Mass
391.94113907
Charge
0
InChI
InChI=1S/C17H14Br2O/c18-11-1-3-13-14-4-2-12(19)10-16(14)17(15(13)9-11)5-7-20-8-6-17/h1-4,9-10H,5-8H2
InChIKey
VJAHYEYQWMPHQQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C1(CCOCC1)c1c2ccc(c1)Br
Isomeric Smiles
O1CCC2(c3cc(ccc3c3c2cc(cc3)Br)Br)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0410748
LogD (pH = 7.4)
5.0410748
Log P
5.0410748
Molar Refractivity
99.1864
Polarizability
35.0839
Polar Surface Area
9.23
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
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References
Bioactivity
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