Molecule

ID:40090

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₂S
Molecular Mass
286.38862
Exact Mass
286.10275082
Charge
0
InChI
InChI=1S/C17H18O2S/c1-12-8-9-13(2)14(10-12)11-20-16-7-5-4-6-15(16)17(18)19-3/h4-10H,11H2,1-3H3
InChIKey
PUYXEVSNSWDGPF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1SCc1cc(C)ccc1C
Isomeric Smiles
c1(C(=O)OC)c(SCc2c(ccc(c2)C)C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2524776
LogD (pH = 7.4)
5.2524776
Log P
5.2524776
Molar Refractivity
85.5864
Polarizability
32.771618
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
false
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
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References
Bioactivity
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