Molecule

ID:73416

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO
Molecular Mass
227.09774
Exact Mass
225.99932697
Charge
0
InChI
InChI=1S/C10H11BrO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6H2,1-2H3
InChIKey
GSCCVWPVPFIRJP-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1ccc(cc1C)C
Isomeric Smiles
O=C(c1c(cc(cc1)C)C)CBr
Calculated Properties
JChem
Acid pKa
15.748959
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2805753
LogD (pH = 7.4)
3.2805753
Log P
3.2805753
Molar Refractivity
54.2799
Polarizability
20.2628
Polar Surface Area
17.07
Rotatable Bonds
2
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