Molecule

ID:78390

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂OS
Molecular Mass
118.15754
Exact Mass
118.02008382
Charge
0
InChI
InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
InChIKey
IPCRBOOJBPETMF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(=S)N
Isomeric Smiles
NC(=S)NC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.49
LogD (pH = 5.5)
-0.49
Log P
-0.49
Rotatable Bonds
0
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.93
Polar Surface Area
55.12
Polarizability
11.27
Molar Refractivity
30.70
LOG S
-0.86
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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