Molecule

ID:26655

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂S
Molecular Mass
261.3394
Exact Mass
261.08234973
Charge
0
InChI
InChI=1S/C14H15NO2S/c1-9(10-6-4-3-5-7-10)12-8-11(13(15)18-12)14(16)17-2/h3-9H,15H2,1-2H3
InChIKey
FLGJKAWEVKYTSD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(sc1N)C(c1ccccc1)C
Isomeric Smiles
c1(c(sc(c1)C(c1ccccc1)C)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
18.181805
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2554874
LogD (pH = 7.4)
4.2554874
Log P
4.2554874
Molar Refractivity
73.1963
Polarizability
27.749893
Polar Surface Area
52.32
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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