Molecule

ID:110606

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₈N₂S₄Zn
Molecular Mass
610.19672
Exact Mass
608.04267491
Charge
0
InChI
InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2
InChIKey
AUMBZPPBWALQRO-UHFFFAOYSA-L
Canonic Smiles
[S-]C(=S)N(Cc1ccccc1)Cc1ccccc1.[S-]C(=S)N(Cc1ccccc1)Cc1ccccc1.[Zn+2]
Isomeric Smiles
[Zn+2].[S-]C(=S)N(Cc1ccccc1)Cc1ccccc1.[S-]C(=S)N(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
1.9799111
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6014967
LogD (pH = 7.4)
3.5998304
Log P
4.742791
Molar Refractivity
85.4859
Polarizability
33.50055
Polar Surface Area
3.24
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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