Molecule

ID:16972

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₄S
Molecular Mass
158.2247
Exact Mass
158.06261734
Charge
0
InChI
InChI=1S/C5H10N4S/c1-4-7-5(9-8-4)10-3-2-6/h2-3,6H2,1H3,(H,7,8,9)
InChIKey
HZXHKHYOZYEEOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc([nH]n1)SCCN
Isomeric Smiles
c1(nc(n[nH]1)C)SCCN
Calculated Properties
JChem
Acid pKa
8.285448
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6822941
LogD (pH = 7.4)
-1.5155809
Log P
-0.73761976
Molar Refractivity
43.9291
Polarizability
16.30895
Polar Surface Area
67.59
Rotatable Bonds
3
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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