Molecule

ID:39756

General Information
Structure
Molecular Formula
C₁₈H₁₆N₂O₂S
Molecular Mass
324.39684
Exact Mass
324.09324876
Charge
0
InChI
InChI=1S/C18H16N2O2S/c1-20-18(23-15-10-8-14(22-2)9-11-15)16(12-21)17(19-20)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey
FOFYYSFBFAHPQS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Sc2ccc(cc2)OC)n(nc1c1ccccc1)C
Isomeric Smiles
c1(c(c(nn1C)c1ccccc1)C=O)Sc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2670374
LogD (pH = 7.4)
4.267053
Log P
4.267053
Molar Refractivity
104.7102
Polarizability
36.920902
Polar Surface Area
44.12
Rotatable Bonds
5
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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