Molecule

ID:71885

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₄S
Molecular Mass
158.2247
Exact Mass
158.06261734
Charge
0
InChI
InChI=1S/C5H10N4S/c1-2-3-4-7-8-5(10)9(4)6/h2-3,6H2,1H3,(H,8,10)
InChIKey
ROAXVRKEIASZAE-UHFFFAOYSA-N
Canonic Smiles
CCCc1nnc(n1N)S
Isomeric Smiles
n1(c(nnc1CCC)S)N
Calculated Properties
JChem
Acid pKa
7.719664
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.028285382
LogD (pH = 7.4)
-0.18789081
Log P
-0.02564845
Molar Refractivity
46.2755
Polarizability
15.936481
Polar Surface Area
56.73
Rotatable Bonds
2
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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