Molecule

ID:26745

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂OS
Molecular Mass
260.35464
Exact Mass
260.09833414
Charge
0
InChI
InChI=1S/C14H16N2OS/c1-3-11-9(2)18-13(15)12(11)14(17)16-10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3,(H,16,17)
InChIKey
OKTWBXDIDCDOCT-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)sc(c1C(=O)Nc1ccccc1)N
Isomeric Smiles
c1(c(sc(c1CC)C)N)C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.855086
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.436492
LogD (pH = 7.4)
4.436479
Log P
4.4364934
Molar Refractivity
77.2561
Polarizability
28.09533
Polar Surface Area
55.12
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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