Molecule

ID:44092

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃S
Molecular Mass
143.21006
Exact Mass
143.0517183
Charge
0
InChI
InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)
InChIKey
LSGLMPMOLFSULL-UHFFFAOYSA-N
Canonic Smiles
Nc1snc(n1)C(C)C
Isomeric Smiles
n1c(nsc1N)C(C)C
Calculated Properties
JChem
Acid pKa
14.418027
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7847316
LogD (pH = 7.4)
1.7852372
Log P
1.7852436
Molar Refractivity
39.0792
Polarizability
13.866639
Polar Surface Area
51.8
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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