Molecule

ID:111929

General Information
Structure
MolImage
Molecular Formula
C₄H₆MnN₂S₄
Molecular Mass
265.301889
Exact Mass
264.8794273
Charge
0
InChI
InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
InChIKey
YKSNLCVSTHTHJA-UHFFFAOYSA-L
Canonic Smiles
[S-]C(=S)NCCNC(=S)[S-].[Mn+2]
Isomeric Smiles
[Mn+2].[S-]C(=S)NCCNC(=S)[S-]
Calculated Properties
JChem
Acid pKa
1.735449
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
-0.31330627
LogD (pH = 7.4)
-0.31710216
Log P
1.9688126
Molar Refractivity
60.759
Polarizability
23.998764
Polar Surface Area
24.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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