Molecule

ID:54376

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂S
Molecular Mass
273.3501
Exact Mass
273.08234973
Charge
0
InChI
InChI=1S/C15H15NO2S/c17-14(16-18)11-19-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)
InChIKey
UZYHNABIVREYIR-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)CSC(c1ccccc1)c1ccccc1
Isomeric Smiles
S(C(c1ccccc1)c1ccccc1)CC(=O)NO
Calculated Properties
JChem
Acid pKa
8.799638
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.881045
LogD (pH = 7.4)
2.8643754
Log P
2.881262
Molar Refractivity
77.7045
Polarizability
30.338219
Polar Surface Area
49.33
Rotatable Bonds
5
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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