Molecule

ID:27665

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₂S₃
Molecular Mass
297.37648
Exact Mass
296.97003948
Charge
0
InChI
InChI=1S/C10H7N3O2S3/c14-18(15,13-10-11-5-6-17-10)9-3-1-8(2-4-9)12-7-16/h1-6H,(H,11,13)
InChIKey
HHKNHSAECJJNKK-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Isomeric Smiles
S(=O)(=O)(Nc1nccs1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
Acid pKa
6.735471
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.8040972
LogD (pH = 7.4)
2.259896
Log P
2.8257792
Molar Refractivity
74.6348
Polarizability
28.716967
Polar Surface Area
71.42
Rotatable Bonds
3
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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