Molecule

ID:111332

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Hg₂NO₄
Molecular Mass
624.40522
Exact Mass
627.0257439
Charge
0
InChI
InChI=1S/C7H7N.2C2H4O2.2Hg/c1-6-4-2-3-5-7(6)8;2*1-2(3)4;;/h3-4H,8H2,1H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKey
ZSIKYPOIFAESCC-UHFFFAOYSA-L
Canonic Smiles
CC(=O)O[Hg]c1cc([Hg]OC(=O)C)c(c(c1)C)N
Isomeric Smiles
CC(=O)O[Hg]c1cc([Hg]OC(=O)C)c(N)c(C)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6719547
LogD (pH = 7.4)
-0.67160445
Log P
-0.6716
Molar Refractivity
58.0644
Polarizability
37.257713
Polar Surface Area
78.62
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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