Molecule

ID:127914

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄OS
Molecular Mass
254.34676
Exact Mass
254.07653607
Charge
0
InChI
InChI=1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3
InChIKey
IKVYHNPVKUNCJM-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc2c1sc1ccccc1c2=O)C
Isomeric Smiles
CC(C)c1cccc2c1sc1ccccc1c2=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8931117
LogD (pH = 7.4)
4.8931117
Log P
4.8931117
Molar Refractivity
77.4504
Polarizability
29.769922
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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