Molecule

ID:43835

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₂S
Molecular Mass
283.34492
Exact Mass
283.06669966
Charge
0
InChI
InChI=1S/C16H13NO2S/c1-2-19-16(18)15-10-9-14(20-15)13-8-7-11-5-3-4-6-12(11)17-13/h3-10H,2H2,1H3
InChIKey
PDGVKIURVOPASD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(s1)c1ccc2c(n1)cccc2
Isomeric Smiles
s1c(ccc1c1nc2c(cc1)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4334226
LogD (pH = 7.4)
4.433843
Log P
4.4338484
Molar Refractivity
78.1914
Polarizability
32.879093
Polar Surface Area
39.19
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
No Data Available
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Molecule Details
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References
Bioactivity
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