Molecule

ID:109403

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂CuN₂S₄
Molecular Mass
303.97888
Exact Mass
302.91792989
Charge
0
InChI
InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
InChIKey
ZOUQIAGHKFLHIA-UHFFFAOYSA-L
Canonic Smiles
CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Cu+2]
Isomeric Smiles
[Cu+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-]
Calculated Properties
JChem
Acid pKa
2.0140626
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.15268822
LogD (pH = 7.4)
0.1508859
Log P
1.2938448
Molar Refractivity
36.2607
Polarizability
14.217208
Polar Surface Area
3.24
Rotatable Bonds
0
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