Molecule

ID:18400

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂OS
Molecular Mass
206.2642
Exact Mass
206.05138395
Charge
0
InChI
InChI=1S/C10H10N2OS/c1-7-5-9(6-13)8(2)12(7)10-11-3-4-14-10/h3-6H,1-2H3
InChIKey
POOXCXKWGLDXNJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1nccs1)C
Isomeric Smiles
n1(c(cc(c1C)C=O)C)c1nccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5256609
LogD (pH = 7.4)
1.5260944
Log P
1.5261
Molar Refractivity
67.3755
Polarizability
20.86336
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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