Molecule

ID:10882

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂S₂
Molecular Mass
284.39918
Exact Mass
284.04419039
Charge
0
InChI
InChI=1S/C15H12N2S2/c16-15-17-14(10-18-15)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H,(H2,16,17)
InChIKey
UDSGAGSEDJVKAD-UHFFFAOYSA-N
Canonic Smiles
Nc1scc(n1)c1ccc(cc1)Sc1ccccc1
Isomeric Smiles
c1(nc(sc1)N)c1ccc(cc1)Sc1ccccc1
Calculated Properties
JChem
Acid pKa
16.702885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6937137
LogD (pH = 7.4)
4.708989
Log P
4.709188
Molar Refractivity
82.8884
Polarizability
32.844273
Polar Surface Area
38.91
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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