Molecule

ID:18637

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂S
Molecular Mass
202.2342
Exact Mass
202.05244658
Charge
0
InChI
InChI=1S/C6H10N4O2S/c1-13-3-2-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
AZCSQHICDPMUDA-UHFFFAOYSA-N
Canonic Smiles
CSCCC(n1cnnn1)C(=O)O
Isomeric Smiles
n1(nnnc1)C(C(=O)O)CCSC
Calculated Properties
JChem
Acid pKa
3.4481635
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9905779
LogD (pH = 7.4)
-3.3393455
Log P
0.050887633
Molar Refractivity
61.2018
Polarizability
18.326818
Polar Surface Area
80.9
Rotatable Bonds
5
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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