Molecule

ID:101162

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂OS
Molecular Mass
232.30148
Exact Mass
232.06703401
Charge
0
InChI
InChI=1S/C12H12N2OS/c1-16-12-13-7-11(9-15)14(12)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKey
FELACOPTUQTZRP-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc(n1Cc1ccccc1)C=O
Isomeric Smiles
n1(c(ncc1C=O)SC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7422092
LogD (pH = 7.4)
2.7478235
Log P
2.7478955
Molar Refractivity
67.2158
Polarizability
25.303488
Polar Surface Area
34.89
Rotatable Bonds
4
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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