Molecule

ID:99525

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFMg
Molecular Mass
168.8789432
Exact Mass
167.99924779
Charge
0
InChI
InChI=1S/C7H6F.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q;;+1/p-1
InChIKey
XVXJKZMOSQDWMQ-UHFFFAOYSA-M
Canonic Smiles
Cl[Mg]c1cccc(c1C)F
Isomeric Smiles
Fc1cccc(c1C)[Mg]Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0934
LogD (pH = 7.4)
2.0934
Log P
2.0934
Molar Refractivity
36.8682
Polarizability
15.6535425
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
References
Bioactivity
Navigation