Molecule
ID:797857
General Information
Molecular Formula
C₁₀H₁₁IO₂
Molecular Mass
290.09761
Exact Mass
289.98037759
Charge
0
InChI
InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
YDJDSUNRSIVGMI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)I
Isomeric Smiles
C(C(=O)OCC)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0426407
LogD (pH = 7.4)
3.0426407
Log P
3.0426407
Molar Refractivity
60.2458
Polarizability
23.614628
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
No Data Available
Click here to submit data
Bioactivity