Molecule

ID:86296

General Information
Structure
Molecular Formula
C₁₈H₂₂OS
Molecular Mass
286.43168
Exact Mass
286.13913632
Charge
0
InChI
InChI=1S/C18H22OS/c1-12(2)11-15-6-8-16(9-7-15)14(4)18(19)17-10-5-13(3)20-17/h5-10,12,14H,11H2,1-4H3
InChIKey
VTNXPNVFBNHJNW-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(C(=O)c1ccc(s1)C)C)C
Isomeric Smiles
s1c(ccc1C)C(=O)C(c1ccc(cc1)CC(C)C)C
Calculated Properties
JChem
Acid pKa
14.158633
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.1565394
LogD (pH = 7.4)
6.1565394
Log P
6.1565394
Molar Refractivity
86.4952
Polarizability
33.225338
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
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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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