Molecule

ID:26529

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂OS
Molecular Mass
260.35464
Exact Mass
260.09833414
Charge
0
InChI
InChI=1S/C14H16N2OS/c1-3-9-4-6-10(7-5-9)11-8(2)18-14(16)12(11)13(15)17/h4-7H,3,16H2,1-2H3,(H2,15,17)
InChIKey
YAAHDNZEECRZQS-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1c(C)sc(c1C(=O)N)N
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)CC)C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.671223
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8424742
LogD (pH = 7.4)
3.8424742
Log P
3.8424742
Molar Refractivity
75.9372
Polarizability
29.267466
Polar Surface Area
69.11
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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