Molecule

ID:58720

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-3-15-10(14)9-8(2)12-11(16-9)13-6-4-5-7-13/h3-7H2,1-2H3
InChIKey
TTXFULTVAWSAME-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C)N1CCCC1
Isomeric Smiles
c1(sc(c(n1)C)C(=O)OCC)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4542167
LogD (pH = 7.4)
2.4542243
Log P
2.4542243
Molar Refractivity
63.8588
Polarizability
23.973755
Polar Surface Area
42.43
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
No Data Available
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Molecule Details
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References
Bioactivity
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