Molecule

ID:66566

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N₃OS
Molecular Mass
175.25192
Exact Mass
175.07793305
Charge
0
InChI
InChI=1S/C6H13N3OS/c1-6(2,3)4(10)8-5(11)9-7/h7H2,1-3H3,(H2,8,9,10,11)
InChIKey
SOKSVAKOWUDYET-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)NC(=O)C(C)(C)C
Isomeric Smiles
NNC(=S)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
9.608931
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.0084134
LogD (pH = 7.4)
1.014941
Log P
1.0177047
Molar Refractivity
48.8859
Polarizability
18.995453
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
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References
Bioactivity
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