Molecule

ID:74249

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃S
Molecular Mass
143.21006
Exact Mass
143.0517183
Charge
0
InChI
InChI=1S/C5H9N3S/c1-2-3-9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKey
PAJVYOXCHCXLOM-UHFFFAOYSA-N
Canonic Smiles
CCCSc1nnc[nH]1
Isomeric Smiles
S(c1nnc[nH]1)CCC
Calculated Properties
JChem
Acid pKa
8.900833
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9820011
LogD (pH = 7.4)
0.97023284
Log P
0.9823437
Molar Refractivity
40.783
Polarizability
14.867523
Polar Surface Area
41.57
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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