Molecule

ID:39908

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃OS₂
Molecular Mass
225.29068
Exact Mass
225.00305386
Charge
0
InChI
InChI=1S/C8H7N3OS2/c9-11-7(12)5-4-14-8(10-5)6-2-1-3-13-6/h1-4H,9H2,(H,11,12)
InChIKey
UHTMEFBCYDRAQK-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1csc(n1)c1cccs1
Isomeric Smiles
c1(nc(sc1)c1sccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.141666
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3734647
LogD (pH = 7.4)
1.3739654
Log P
1.3739718
Molar Refractivity
66.4484
Polarizability
21.397533
Polar Surface Area
68.01
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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