Molecule

ID:16753

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃S
Molecular Mass
143.21006
Exact Mass
143.0517183
Charge
0
InChI
InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)
InChIKey
NLQURINLKRAGIF-UHFFFAOYSA-N
Canonic Smiles
CCCc1nnc(s1)N
Isomeric Smiles
c1(sc(nn1)N)CCC
Calculated Properties
JChem
Acid pKa
15.052717
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8717613
LogD (pH = 7.4)
0.87178487
Log P
0.87178516
Molar Refractivity
39.2315
Polarizability
13.867896
Polar Surface Area
51.8
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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