Molecule

ID:130556

General Information
Structure
MolImage
Molecular Formula
C₈H₉HgNO₂
Molecular Mass
351.75256
Exact Mass
353.03397153
Charge
0
InChI
InChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1
InChIKey
RXSUFCOOZSGWSW-UHFFFAOYSA-M
Canonic Smiles
CC(=O)O[Hg]c1ccc(cc1)N
Isomeric Smiles
CC(=O)O[Hg]c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.059654903
LogD (pH = 7.4)
0.0622666
Log P
0.0623
Molar Refractivity
41.8908
Polarizability
23.252153
Polar Surface Area
52.32
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
References
Bioactivity
Navigation