Molecule

ID:26658

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂OS
Molecular Mass
252.3757
Exact Mass
252.12963427
Charge
0
InChI
InChI=1S/C13H20N2OS/c1-3-10-9(2)17-12(14)11(10)13(16)15-7-5-4-6-8-15/h3-8,14H2,1-2H3
InChIKey
CCFJZLLSLUHEPL-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)sc(c1C(=O)N1CCCCC1)N
Isomeric Smiles
c1(c(sc(c1CC)C)N)C(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4929655
LogD (pH = 7.4)
3.4929671
Log P
3.4929671
Molar Refractivity
72.7364
Polarizability
26.807716
Polar Surface Area
46.33
Rotatable Bonds
2
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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