Molecule

ID:136843

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂Br₂O₂
Molecular Mass
464.27488
Exact Mass
462.07690426
Charge
0
InChI
InChI=1S/C20H32Br2O2/c1-3-5-7-9-11-23-19-13-18(16-22)20(14-17(19)15-21)24-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3
InChIKey
WXZHEUZDKJZODF-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(OCCCCCC)c(cc1OCCCCCC)CBr
Isomeric Smiles
CCCCCCOc1cc(c(cc1CBr)OCCCCCC)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.629451
LogD (pH = 7.4)
7.629451
Log P
7.629451
Molar Refractivity
110.8364
Polarizability
42.771896
Polar Surface Area
18.46
Rotatable Bonds
14
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
References
Bioactivity
Navigation
CAS 153282-57-6|2,5-双(溴甲基)-1,4-双(己氧基)苯|2,5-Bis(bromomethyl)-1,4-bis(hexyloxy)benzene|1,4-bis(bromomethyl)-2,5-bis(hexyloxy)benzene|1,4-双(溴甲基)-2,5-双(己氧基)苯|1,4-bis(bromomethyl)-2,5-b... | Molfinder