Molecule

ID:25375

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₂S
Molecular Mass
269.31834
Exact Mass
269.0510496
Charge
0
InChI
InChI=1S/C15H11NO2S/c1-9-4-2-5-10-11(15(17)18)8-12(16-14(9)10)13-6-3-7-19-13/h2-8H,1H3,(H,17,18)
InChIKey
SRPFZIXAUMPPGN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2C)c1cccs1
Isomeric Smiles
n1c2c(c(cc1c1sccc1)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5756211
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1923957
LogD (pH = 7.4)
0.76043797
Log P
4.1121283
Molar Refractivity
73.9308
Polarizability
30.672497
Polar Surface Area
50.19
Rotatable Bonds
2
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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