Molecule
ID:79669
General Information
Molecular Formula
C₁₁H₁₀S
Molecular Mass
174.2621
Exact Mass
174.05032132
Charge
0
InChI
InChI=1S/C11H10S/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
HDHULNAHLSPUMN-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(c1)c1ccccc1
Isomeric Smiles
s1c(cc(c1)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9110405
LogD (pH = 7.4)
3.9110405
Log P
3.9110405
Molar Refractivity
53.1253
Polarizability
21.775425
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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