Molecule

ID:107996

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂PbS₄
Molecular Mass
527.7606
Exact Mass
528.02758465
Charge
0
InChI
InChI=1S/2C6H11NS2.Pb/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
InChIKey
WRBHGAMSUYCQFW-UHFFFAOYSA-L
Canonic Smiles
[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1.[Pb+2]
Isomeric Smiles
[Pb+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1
Calculated Properties
JChem
Acid pKa
1.9998499
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.0029957
LogD (pH = 7.4)
1.0012513
Log P
2.144211
Molar Refractivity
48.4027
Polarizability
19.016254
Polar Surface Area
3.24
Rotatable Bonds
0
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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