Molecule

ID:90925

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrIO
Molecular Mass
310.91453
Exact Mass
309.84902475
Charge
0
InChI
InChI=1S/C7H4BrIO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey
ZFZAZPMPNMBBIZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)I)Br
Isomeric Smiles
Brc1c(cc(cc1)C=O)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3834453
LogD (pH = 7.4)
3.3834453
Log P
3.3834453
Molar Refractivity
53.6273
Polarizability
20.545362
Polar Surface Area
17.07
Rotatable Bonds
1
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