Molecule

ID:70444

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈N₂OS₂
Molecular Mass
296.36682
Exact Mass
296.00780489
Charge
0
InChI
InChI=1S/C15H8N2OS2/c18-13(14-16-9-5-1-3-7-11(9)19-14)15-17-10-6-2-4-8-12(10)20-15/h1-8H
InChIKey
QLMKKZCKMXLQIL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nc2c(s1)cccc2)c1nc2c(s1)cccc2
Isomeric Smiles
C(=O)(c1sc2c(n1)cccc2)c1sc2c(n1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.468139
LogD (pH = 7.4)
4.4681406
Log P
4.4681406
Molar Refractivity
77.7293
Polarizability
32.623043
Polar Surface Area
42.85
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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