Molecule

ID:84424

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS₃
Molecular Mass
241.39604
Exact Mass
241.00536236
Charge
0
InChI
InChI=1S/C10H11NS3/c11-9(12)7-1-3-8(4-2-7)10-13-5-6-14-10/h1-4,10H,5-6H2,(H2,11,12)
InChIKey
DUMZFFFGXHYMOZ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ccc(cc1)C1SCCS1
Isomeric Smiles
S1C(c2ccc(cc2)C(=S)N)SCC1
Calculated Properties
JChem
Acid pKa
12.568389
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.7800045
LogD (pH = 7.4)
2.7800071
Log P
2.7800045
Molar Refractivity
71.0107
Polarizability
27.47457
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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