Molecule

ID:12441

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NS₂
Molecular Mass
207.31516
Exact Mass
207.01764129
Charge
0
InChI
InChI=1S/C10H9NS2/c1-2-4-8-7(3-1)9-10(11-8)13-6-5-12-9/h1-4,11H,5-6H2
InChIKey
VLQFLCQBDYMBJQ-UHFFFAOYSA-N
Canonic Smiles
C1CSc2c(S1)[nH]c1c2cccc1
Isomeric Smiles
c12c3c([nH]c1SCCS2)cccc3
Calculated Properties
JChem
Acid pKa
13.746307
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.7268374
LogD (pH = 7.4)
2.7268372
Log P
2.7268374
Molar Refractivity
60.353
Polarizability
24.641672
Polar Surface Area
15.79
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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