Molecule
ID:81586
General Information
Molecular Formula
C₄H₈N₂O₂S₂
Molecular Mass
180.24852
Exact Mass
180.00271951
Charge
0
InChI
InChI=1S/C4H8N2O2S2/c5-3(7)1-9-10-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
InChIKey
WFVWTLVPOUCKBR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CSSCC(=O)N
Isomeric Smiles
O=C(CSSCC(=O)N)N
Calculated Properties
JChem
Acid pKa
15.376924
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4626083
LogD (pH = 7.4)
-1.4626083
Log P
-1.4626083
Molar Refractivity
42.794
Polarizability
16.78277
Polar Surface Area
86.18
Rotatable Bonds
5
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
No Data Available
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Related Proteins
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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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