Molecule

ID:69300

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀Br₂O₂
Molecular Mass
261.9397
Exact Mass
259.90475356
Charge
0
InChI
InChI=1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChIKey
CPAHOXOBYHMHDT-UHFFFAOYSA-N
Canonic Smiles
BrCC(CBr)(OC)OC
Isomeric Smiles
C(C(CBr)(OC)OC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3377292
LogD (pH = 7.4)
2.3377292
Log P
2.3377292
Molar Refractivity
43.5548
Polarizability
17.307661
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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