Molecule
ID:82640
General Information
Molecular Formula
C₆H₁₂N₂O₂S₂
Molecular Mass
208.30168
Exact Mass
208.03401963
Charge
0
InChI
InChI=1S/C6H12N2O2S2/c7-5(9)1-3-11-12-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKey
GJXCLGKEGAGUQC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCSSCCC(=O)N
Isomeric Smiles
O=C(CCSSCCC(=O)N)N
Calculated Properties
JChem
Acid pKa
15.807313
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.88528603
LogD (pH = 7.4)
-0.8852859
Log P
-0.8852859
Molar Refractivity
52.304
Polarizability
20.425272
Polar Surface Area
86.18
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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