Molecule

ID:69476

General Information
Structure
Molecular Formula
C₈H₁₆N₂O₄S₂
Molecular Mass
268.35364
Exact Mass
268.055149
Charge
0
InChI
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChIKey
ZTVZLYBCZNMWCF-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)CCSSCCC(C(=O)O)N
Isomeric Smiles
C(=O)(C(N)CCSSCCC(N)C(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.33
LogD (pH = 5.5)
-5.32
Log P
-5.32
Rotatable Bonds
9
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.80
Polar Surface Area
126.64
Polarizability
26.88
Molar Refractivity
64.38
LOG S
-1.94
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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