Molecule

ID:128317

General Information
Structure
Molecular Formula
C₅H₁₀N₂O₂S
Molecular Mass
162.2101
Exact Mass
162.04629857
Charge
0
InChI
InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)
InChIKey
UHXUZOCRWCRNSJ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)ON=C(SC)C
Isomeric Smiles
C/C(=N\OC(=O)NC)/SC
Calculated Properties
JChem
LogD (pH = 7.4)
0.72
LogD (pH = 5.5)
0.72
Log P
0.72
Rotatable Bonds
3
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
14.00
Polar Surface Area
50.69
Polarizability
16.33
Molar Refractivity
40.26
LOG S
-0.95
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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