Molecule

ID:129922

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₂S₂
Molecular Mass
234.33896
Exact Mass
234.0496697
Charge
0
InChI
InChI=1S/C8H14N2O2S2/c1-6-4-13-8(2,14-6)5-10-12-7(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)
InChIKey
GHFMMRFMDHDOBP-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)O/N=C/C1(C)SCC(S1)C
Isomeric Smiles
O=C(O/N=C/C1(SCC(S1)C)C)NC
Calculated Properties
JChem
Acid pKa
14.135084
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5929937
LogD (pH = 7.4)
1.5930105
Log P
1.5930108
Molar Refractivity
60.5534
Polarizability
23.546228
Polar Surface Area
50.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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