Molecule

ID:13831

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃OS
Molecular Mass
173.23604
Exact Mass
173.06228299
Charge
0
InChI
InChI=1S/C6H11N3OS/c1-4(10)9-6(2,3)11-5(7)8-9/h1-3H3,(H2,7,8)
InChIKey
YDEAVADCTJTCKL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1N=C(SC1(C)C)N
Isomeric Smiles
N1(C(SC(=N1)N)(C)C)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.15206751
LogD (pH = 7.4)
0.15251915
Log P
0.1525249
Molar Refractivity
45.1792
Polarizability
17.259565
Polar Surface Area
58.69
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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