Molecule
ID:121412
General Information
Molecular Formula
C₆H₁₁BrO₂
Molecular Mass
195.05434
Exact Mass
193.99424159
Charge
0
InChI
InChI=1S/C6H11BrO2/c7-5-6-8-3-1-2-4-9-6/h6H,1-5H2
InChIKey
ROMIFTSWMNAXQS-UHFFFAOYSA-N
Canonic Smiles
BrCC1OCCCCO1
Isomeric Smiles
C1(OCCCCO1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6592345
LogD (pH = 7.4)
1.6592345
Log P
1.6592345
Molar Refractivity
38.6614
Polarizability
15.326119
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...