Molecule

ID:27640

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₄O₂S₂
Molecular Mass
292.33682
Exact Mass
292.00886752
Charge
0
InChI
InChI=1S/C11H8N4O2S2/c16-19(17,15-11-12-6-1-7-13-11)10-4-2-9(3-5-10)14-8-18/h1-7H,(H,12,13,15)
InChIKey
HZRFQEQYOQGXDQ-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Isomeric Smiles
S(=O)(=O)(Nc1ncccn1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
Acid pKa
6.858497
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.221557
LogD (pH = 7.4)
1.7319238
Log P
2.238012
Molar Refractivity
76.5634
Polarizability
29.123848
Polar Surface Area
84.31
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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