Molecule

ID:58232

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂OS
Molecular Mass
116.14166
Exact Mass
116.00443376
Charge
0
InChI
InChI=1S/C3H4N2OS/c1-2-4-5-3(7)6-2/h1H3,(H,5,7)
InChIKey
ZVGKPQCCKGLQPB-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)S
Isomeric Smiles
n1nc(oc1C)S
Calculated Properties
JChem
Acid pKa
6.2567353
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21202378
LogD (pH = 7.4)
-1.1360188
Log P
-0.14479254
Molar Refractivity
28.9074
Polarizability
10.368757
Polar Surface Area
38.92
Rotatable Bonds
0
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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