Molecule

ID:25274

General Information
Structure
MolImage
Molecular Formula
C₅H₉BrO₂
Molecular Mass
181.02776
Exact Mass
179.97859153
Charge
0
InChI
InChI=1S/C5H9BrO2/c1-5(4-6)7-2-3-8-5/h2-4H2,1H3
InChIKey
LADSNESNVGBQKO-UHFFFAOYSA-N
Canonic Smiles
BrCC1(C)OCCO1
Isomeric Smiles
C1(OCCO1)(CBr)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3299749
LogD (pH = 7.4)
1.3299749
Log P
1.3299749
Molar Refractivity
34.1732
Polarizability
13.542214
Polar Surface Area
18.46
Rotatable Bonds
1
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