Molecule

ID:118810

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂OS₂
Molecular Mass
300.39858
Exact Mass
300.03910501
Charge
0
InChI
InChI=1S/C15H12N2OS2/c18-14-12-10-7-4-8-11(10)20-13(12)16-15(19)17(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,19)
InChIKey
LLFBYHAEKFMVIS-UHFFFAOYSA-N
Canonic Smiles
Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3
Isomeric Smiles
c12c(nc(n(c1=O)c1ccccc1)S)sc1c2CCC1
Calculated Properties
JChem
Acid pKa
5.938148
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6062627
LogD (pH = 7.4)
3.741564
Log P
4.7285495
Molar Refractivity
84.4175
Polarizability
31.162804
Polar Surface Area
32.67
Rotatable Bonds
1
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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