Molecule

ID:11290

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂S
Molecular Mass
284.33298
Exact Mass
284.06194863
Charge
0
InChI
InChI=1S/C15H12N2O2S/c18-14(19)10-20-15-16-12-8-4-5-9-13(12)17(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKey
QJUFLXCQZGILJZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSc1nc2c(n1c1ccccc1)cccc2
Isomeric Smiles
c1(n(c2c(n1)cccc2)c1ccccc1)SCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4349637
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.329927
LogD (pH = 7.4)
0.6165731
Log P
3.2100208
Molar Refractivity
88.4265
Polarizability
32.195206
Polar Surface Area
55.12
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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