Molecule

ID:57736

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NS₂
Molecular Mass
207.31516
Exact Mass
207.01764129
Charge
0
InChI
InChI=1S/C10H9NS2/c1-7-4-2-3-5-8(7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKey
AFWSWVUHGNMUSC-UHFFFAOYSA-N
Canonic Smiles
Sc1scc(n1)c1ccccc1C
Isomeric Smiles
n1c(csc1S)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
7.773342
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.953763
LogD (pH = 7.4)
3.809529
Log P
3.955993
Molar Refractivity
58.5549
Polarizability
23.907982
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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