Molecule

ID:26337

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃S
Molecular Mass
304.36414
Exact Mass
304.08816338
Charge
0
InChI
InChI=1S/C15H16N2O3S/c1-3-20-15(19)11-9(2)12(21-13(11)16)14(18)17-10-7-5-4-6-8-10/h4-8H,3,16H2,1-2H3,(H,17,18)
InChIKey
QQDPRGVPYOPPBA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc(c1C)C(=O)Nc1ccccc1
Isomeric Smiles
c1(c(sc(c1C)C(=O)Nc1ccccc1)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.715596
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.838788
LogD (pH = 7.4)
3.8387685
Log P
3.8387883
Molar Refractivity
84.1568
Polarizability
30.815138
Polar Surface Area
81.42
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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