Molecule

ID:57685

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃S₂
Molecular Mass
175.27506
Exact Mass
175.0237893
Charge
0
InChI
InChI=1S/C5H9N3S2/c1-2-3-9-5-8-7-4(6)10-5/h2-3H2,1H3,(H2,6,7)
InChIKey
UWXTXBIBHSFVCG-UHFFFAOYSA-N
Canonic Smiles
CCCSc1nnc(s1)N
Isomeric Smiles
s1c(nnc1N)SCCC
Calculated Properties
JChem
Acid pKa
14.496432
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6916337
LogD (pH = 7.4)
1.6916354
Log P
1.6916355
Molar Refractivity
47.1169
Polarizability
17.026653
Polar Surface Area
51.8
Rotatable Bonds
3
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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