Molecule

ID:27724

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃S
Molecular Mass
157.23664
Exact Mass
157.06736837
Charge
0
InChI
InChI=1S/C6H11N3S/c1-4(2)5-7-8-6(10)9(5)3/h4H,1-3H3,(H,8,10)
InChIKey
GYHLFQXWXOVOKL-UHFFFAOYSA-N
Canonic Smiles
CC(c1nnc(n1C)S)C
Isomeric Smiles
n1(c(nnc1S)C(C)C)C
Calculated Properties
JChem
Acid pKa
7.921985
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2601143
LogD (pH = 7.4)
1.1527569
Log P
1.2620442
Molar Refractivity
45.2509
Polarizability
16.54405
Polar Surface Area
30.71
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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