Molecule

ID:100561

General Information
Structure
MolImage
Molecular Formula
C₇H₆FIZn
Molecular Mass
301.4054132
Exact Mass
299.87896841
Charge
0
InChI
InChI=1S/C7H6F.HI.Zn/c1-6-4-2-3-5-7(6)8;;/h3-5H,1H3;1H;/q;;+1/p-1
InChIKey
HVOSPPUDYIJJQW-UHFFFAOYSA-M
Canonic Smiles
I[Zn]c1ccc(c(c1)C)F
Isomeric Smiles
[Zn](c1cc(c(cc1)F)C)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7975
LogD (pH = 7.4)
2.7975
Log P
2.7975
Molar Refractivity
44.0727
Polarizability
20.384874
Polar Surface Area
0.0
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