Molecule

ID:80248

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈Br₂O₄
Molecular Mass
398.08762
Exact Mass
395.95718306
Charge
0
InChI
InChI=1S/C13H18Br2O4/c14-10-7-9-5-8(12(10)16-1-2-17-12)6-11(15)13(9)18-3-4-19-13/h8-11H,1-7H2
InChIKey
OSPRNWJVZBLALK-UHFFFAOYSA-N
Canonic Smiles
BrC1CC2CC(C31OCCO3)CC(C12OCCO1)Br
Isomeric Smiles
O1C2(C3CC(C4(OCCO4)C(C3)Br)CC2Br)OCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.156517
LogD (pH = 7.4)
3.156517
Log P
3.156517
Molar Refractivity
75.5908
Polarizability
30.405748
Polar Surface Area
36.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation