Molecule

ID:108183

General Information
Structure
MolImage
Molecular Formula
C₃H₇N₃OS
Molecular Mass
133.17218
Exact Mass
133.03098286
Charge
0
InChI
InChI=1S/C3H7N3OS/c1-2(7)5-6-3(4)8/h1H3,(H,5,7)(H3,4,6,8)
InChIKey
NSIMQTOXNOFWBP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NNC(=S)N
Isomeric Smiles
CC(=O)NNC(=S)N
Calculated Properties
JChem
Acid pKa
11.693985
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
-1.0634139
LogD (pH = 7.4)
-1.0634329
Log P
-1.0634136
Molar Refractivity
33.9994
Polarizability
13.203182
Polar Surface Area
67.15
Rotatable Bonds
1
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
References
Bioactivity
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