Molecule

ID:75412

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁IO₂
Molecular Mass
326.12971
Exact Mass
325.98037759
Charge
0
InChI
InChI=1S/C13H11IO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,1H3
InChIKey
FGVNCPWOQYKDHX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1ccc(cc1)I
Isomeric Smiles
O(c1ccccc1OC)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2448063
LogD (pH = 7.4)
4.2448063
Log P
4.2448063
Molar Refractivity
72.1245
Polarizability
28.224056
Polar Surface Area
18.46
Rotatable Bonds
3
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