Molecule
ID:60189
General Information
Molecular Formula
C₁₆H₁₂S
Molecular Mass
236.33148
Exact Mass
236.06597138
Charge
0
InChI
InChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H
InChIKey
HWKZNRABKQDKTC-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(s1)c1ccccc1
Isomeric Smiles
s1c(ccc1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0415506
LogD (pH = 7.4)
5.0415506
Log P
5.0415506
Molar Refractivity
73.0044
Polarizability
31.143347
Polar Surface Area
0.0
Rotatable Bonds
2
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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