Molecule

ID:131430

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O₄Se₂
Molecular Mass
334.09048
Exact Mass
335.91274887
Charge
0
InChI
InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKey
JULROCUWKLNBSN-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)C[Se][Se]CC(C(=O)O)N
Isomeric Smiles
C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-7.90
LogD (pH = 5.5)
-7.88
Log P
-7.88
Rotatable Bonds
7
H Donor
4
H Acceptors
8
Lipinski's Rule of Five
true
Acid pKa
0.98
Polar Surface Area
126.64
Polarizability
20.29
Molar Refractivity
65.51
LOG S
1.01
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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