Molecule

ID:35300

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂OS
Molecular Mass
256.32288
Exact Mass
256.06703401
Charge
0
InChI
InChI=1S/C14H12N2OS/c1-2-10-3-5-11(6-4-10)13-12(9-17)16-7-8-18-14(16)15-13/h3-9H,2H2,1H3
InChIKey
LKNSTDZBILYXJI-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2n(c1C=O)ccs2
Isomeric Smiles
c12nc(c(n1ccs2)C=O)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2306345
LogD (pH = 7.4)
3.230798
Log P
3.2308
Molar Refractivity
84.3803
Polarizability
28.432026
Polar Surface Area
34.37
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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