Molecule

ID:75409

General Information
Structure
Molecular Formula
C₁₂H₇Cl₂IO
Molecular Mass
364.99385
Exact Mass
363.8918682
Charge
0
InChI
InChI=1S/C12H7Cl2IO/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h1-7H
InChIKey
ZOYZSKWILBNMGG-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)Oc1ccc(c(c1)Cl)Cl
Isomeric Smiles
O(c1ccc(c(c1)Cl)Cl)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.6105666
LogD (pH = 7.4)
5.6105666
Log P
5.6105666
Molar Refractivity
75.2709
Polarizability
29.608059
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
false
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