Molecule

ID:26747

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂S
Molecular Mass
185.20368
Exact Mass
185.02589748
Charge
0
InChI
InChI=1S/C6H7N3O2S/c7-4-3(1-2-12-4)5(10)9-6(8)11/h1-2H,7H2,(H3,8,9,10,11)
InChIKey
OAWUKGOACZAMCO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NC(=O)c1ccsc1N
Isomeric Smiles
c1(C(=O)NC(=O)N)c(scc1)N
Calculated Properties
JChem
Acid pKa
10.571058
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.24645706
LogD (pH = 7.4)
0.24617127
Log P
0.24646086
Molar Refractivity
44.3451
Polarizability
16.188837
Polar Surface Area
98.21
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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