Molecule
ID:74120
General Information
Molecular Formula
C₁₀H₉NS
Molecular Mass
175.25016
Exact Mass
175.04557029
Charge
0
InChI
InChI=1S/C10H9NS/c12-7-11-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-6H2
InChIKey
CZURARUOQAYJOX-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1Cc2c(C1)cccc2
Isomeric Smiles
N(=C=S)C1Cc2c(cccc2)C1
Calculated Properties
JChem
Acid pKa
17.242723
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.18244
LogD (pH = 7.4)
3.18244
Log P
3.18244
Molar Refractivity
53.6765
Polarizability
20.718733
Polar Surface Area
12.36
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
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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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