Molecule

ID:87278

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂Na₂O₄S₂
Molecular Mass
284.26414
Exact Mass
283.98773737
Charge
0
InChI
InChI=1S/C6H12N2O4S2.2Na/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);;/q;2*+1/p-2/t3-,4-;;/m0../s1
InChIKey
PLVPMKWGXOOSKL-RGVONZFCSA-L
Canonic Smiles
N[C@H](C(=O)[O-])CSSC[C@@H](C(=O)[O-])N.[Na+].[Na+]
Isomeric Smiles
N[C@@H](CSSC[C@@H](C(=O)[O-])N)C(=O)[O-].[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
1.5564231
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-5.897319
LogD (pH = 7.4)
-5.9155164
Log P
-5.897688
Molar Refractivity
76.546
Polarizability
21.944845
Polar Surface Area
132.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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