Molecule

ID:78324

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈S
Molecular Mass
252.45852
Exact Mass
252.1911719
Charge
0
InChI
InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3
InChIKey
RFKWIEFTBMACPZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCc1ccsc1
Isomeric Smiles
s1ccc(c1)CCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.1573644
LogD (pH = 7.4)
7.1573644
Log P
7.1573644
Molar Refractivity
78.816
Polarizability
31.02585
Polar Surface Area
0.0
Rotatable Bonds
11
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
References
Bioactivity
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