Molecule

ID:86295

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀OS
Molecular Mass
272.4051
Exact Mass
272.12348626
Charge
0
InChI
InChI=1S/C17H20OS/c1-12(2)11-14-6-8-15(9-7-14)13(3)17(18)16-5-4-10-19-16/h4-10,12-13H,11H2,1-3H3
InChIKey
JEZIDUYKLDSRDT-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(C(=O)c1cccs1)C)C
Isomeric Smiles
s1c(ccc1)C(=O)C(c1ccc(cc1)CC(C)C)C
Calculated Properties
JChem
Acid pKa
13.881282
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.510679
LogD (pH = 7.4)
5.5106783
Log P
5.510679
Molar Refractivity
81.4389
Polarizability
31.462566
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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