Molecule

ID:91925

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂INO₂
Molecular Mass
305.11225
Exact Mass
304.99127663
Charge
0
InChI
InChI=1S/C10H12INO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKey
VEMDCCDETKYAEB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)NCC(=O)OCC
Calculated Properties
JChem
Acid pKa
16.204714
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3555536
LogD (pH = 7.4)
2.3556526
Log P
2.3556538
Molar Refractivity
65.2166
Polarizability
24.792152
Polar Surface Area
38.33
Rotatable Bonds
5
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