Molecule

ID:26744

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂OS
Molecular Mass
308.39744
Exact Mass
308.09833414
Charge
0
InChI
InChI=1S/C18H16N2OS/c19-17-16(15(12-22-17)14-9-5-2-6-10-14)18(21)20-11-13-7-3-1-4-8-13/h1-10,12H,11,19H2,(H,20,21)
InChIKey
FBWJVQLXYDKYGK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)scc1c1ccccc1)NCc1ccccc1
Isomeric Smiles
c1(c(csc1N)c1ccccc1)C(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.947833
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.186773
LogD (pH = 7.4)
4.186773
Log P
4.186773
Molar Refractivity
90.748
Polarizability
35.358055
Polar Surface Area
55.12
Rotatable Bonds
4
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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