Molecule

ID:57919

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₂S
Molecular Mass
162.2101
Exact Mass
162.04629857
Charge
0
InChI
InChI=1S/C5H10N2O2S/c1-3-9-5(8)7-4(10)6-2/h3H2,1-2H3,(H2,6,7,8,10)
InChIKey
ZVSZDIQLSVMMBI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(=S)NC
Isomeric Smiles
N(C(=S)NC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.630754
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.7140637
LogD (pH = 7.4)
0.68986577
Log P
0.7144192
Molar Refractivity
41.9683
Polarizability
16.440771
Polar Surface Area
50.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
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References
Bioactivity
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