Molecule
ID:79668
General Information
Molecular Formula
C₁₁H₁₀S
Molecular Mass
174.2621
Exact Mass
174.05032132
Charge
0
InChI
InChI=1S/C11H10S/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
CZEDCCWCCIETGI-UHFFFAOYSA-N
Canonic Smiles
Cc1sccc1c1ccccc1
Isomeric Smiles
s1c(c(c2ccccc2)cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.046774
LogD (pH = 7.4)
4.046774
Log P
4.046774
Molar Refractivity
53.3563
Polarizability
21.772045
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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