Molecule

ID:77578

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂OS
Molecular Mass
284.37604
Exact Mass
284.09833414
Charge
0
InChI
InChI=1S/C16H16N2OS/c1-11-8-12(2)10-14(9-11)17-16(20)18-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKey
YAEFVXZQXWJXLF-UHFFFAOYSA-N
Canonic Smiles
S=C(NC(=O)c1ccccc1)Nc1cc(C)cc(c1)C
Isomeric Smiles
N(C(=S)Nc1cc(cc(c1)C)C)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
5.4900556
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
4.350857
LogD (pH = 7.4)
3.424672
Log P
4.6369057
Molar Refractivity
87.9074
Polarizability
32.71603
Polar Surface Area
41.13
Rotatable Bonds
2
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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