Molecule

ID:85882

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃S
Molecular Mass
141.19418
Exact Mass
141.03606824
Charge
0
InChI
InChI=1S/C5H7N3S/c1-3-7-2-4(8-3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8)
InChIKey
MNYPQSNAWPZXRV-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(c[nH]1)C(=S)N
Isomeric Smiles
n1c(C)[nH]cc1C(=S)N
Calculated Properties
JChem
Acid pKa
10.638763
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.044126347
LogD (pH = 7.4)
0.101709284
Log P
0.10420073
Molar Refractivity
40.1508
Polarizability
15.118797
Polar Surface Area
54.7
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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