Molecule

ID:27692

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O₂S₂
Molecular Mass
228.29132
Exact Mass
228.00271951
Charge
0
InChI
InChI=1S/C8H8N2O2S2/c1-9-14(11,12)8-4-2-7(3-5-8)10-6-13/h2-5,9H,1H3
InChIKey
RWAPCVBNVCMXDF-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)NC
Isomeric Smiles
S(=O)(=O)(c1ccc(N=C=S)cc1)NC
Calculated Properties
JChem
Acid pKa
10.057602
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8247668
LogD (pH = 7.4)
1.8239324
Log P
1.8247778
Molar Refractivity
60.1755
Polarizability
23.148354
Polar Surface Area
58.53
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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