Molecule

ID:83435

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈S₂
Molecular Mass
274.44412
Exact Mass
274.08499258
Charge
0
InChI
InChI=1S/C16H18S2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKey
VOMJLHMJSYOQQG-UHFFFAOYSA-N
Canonic Smiles
CC(C(Sc1ccccc1)Sc1ccccc1)C
Isomeric Smiles
S(c1ccccc1)C(Sc1ccccc1)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.891637
LogD (pH = 7.4)
5.891637
Log P
5.891637
Molar Refractivity
84.5412
Polarizability
33.463676
Polar Surface Area
0.0
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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