Molecule

ID:27432

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂S
Molecular Mass
273.3501
Exact Mass
273.08234973
Charge
0
InChI
InChI=1S/C15H15NO2S/c1-9-11(3)19-8-14(9)15(18)16-13-6-4-5-12(7-13)10(2)17/h4-8H,1-3H3,(H,16,18)
InChIKey
VQYDUJNJCRFCDP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1csc(c1C)C)Nc1cccc(c1)C(=O)C
Isomeric Smiles
c1(C(=O)Nc2cc(C(=O)C)ccc2)c(c(sc1)C)C
Calculated Properties
JChem
Acid pKa
10.485635
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.562498
LogD (pH = 7.4)
3.5621636
Log P
3.5625024
Molar Refractivity
79.1976
Polarizability
28.85881
Polar Surface Area
46.17
Rotatable Bonds
3
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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