Molecule

ID:26344

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Mass
242.29476
Exact Mass
242.07251332
Charge
0
InChI
InChI=1S/C10H14N2O3S/c1-4(2)15-10(14)6-5(3)7(8(11)13)16-9(6)12/h4H,12H2,1-3H3,(H2,11,13)
InChIKey
WTYUAPWNBROVGR-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1c(N)sc(c1C)C(=O)N)C
Isomeric Smiles
c1(c(sc(c1C)C(=O)N)N)C(=O)OC(C)C
Calculated Properties
JChem
Acid pKa
14.36569
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.014119
LogD (pH = 7.4)
2.014119
Log P
2.014119
Molar Refractivity
62.1205
Polarizability
22.961061
Polar Surface Area
95.41
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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