Molecule
ID:80890
General Information
Molecular Formula
C₁₈H₂₀OS
Molecular Mass
284.4158
Exact Mass
284.12348626
Charge
0
InChI
InChI=1S/C18H20OS/c1-11-12(2)14(4)18(15(5)13(11)3)17(19)9-8-16-7-6-10-20-16/h6-10H,1-5H3
InChIKey
RTBSPCVSDOYMOV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(C)c(C)c(c(c1C)C)C)/C=C/c1cccs1
Isomeric Smiles
s1c(ccc1)/C=C/C(=O)c1c(c(c(c(c1C)C)C)C)C
Calculated Properties
JChem
Acid pKa
16.04872
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3703136
LogD (pH = 7.4)
6.3703136
Log P
6.3703136
Molar Refractivity
88.9729
Polarizability
32.817513
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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