Molecule

ID:59525

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₃S
Molecular Mass
270.34792
Exact Mass
270.10381345
Charge
0
InChI
InChI=1S/C12H18N2O3S/c1-5-17-12(16)8-7(4)9(18-10(8)13)11(15)14-6(2)3/h6H,5,13H2,1-4H3,(H,14,15)
InChIKey
PESBCHCWUORAFC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc(c1C)C(=O)NC(C)C
Isomeric Smiles
s1c(c(c(c1C(=O)NC(C)C)C)C(=O)OCC)N
Calculated Properties
JChem
Acid pKa
14.940955
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5946028
LogD (pH = 7.4)
2.5946028
Log P
2.5946028
Molar Refractivity
71.7658
Polarizability
26.608953
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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