Molecule

ID:26327

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O₃S
Molecular Mass
290.33756
Exact Mass
290.07251332
Charge
0
InChI
InChI=1S/C14H14N2O3S/c1-8-10(14(18)19-2)12(15)20-11(8)13(17)16-9-6-4-3-5-7-9/h3-7H,15H2,1-2H3,(H,16,17)
InChIKey
BWKPWQXMESIWDK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc(c1C)C(=O)Nc1ccccc1
Isomeric Smiles
c1(c(sc(c1C)C(=O)Nc1ccccc1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.715727
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.48198
LogD (pH = 7.4)
3.4819605
Log P
3.4819803
Molar Refractivity
79.4082
Polarizability
28.982687
Polar Surface Area
81.42
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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