Molecule

ID:26599

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂OS
Molecular Mass
292.43956
Exact Mass
292.1609344
Charge
0
InChI
InChI=1S/C16H24N2OS/c1-2-10-7-8-12-13(9-10)20-15(17)14(12)16(19)18-11-5-3-4-6-11/h10-11H,2-9,17H2,1H3,(H,18,19)
InChIKey
JKEQKQODXKUAIM-UHFFFAOYSA-N
Canonic Smiles
CCC1CCc2c(C1)sc(c2C(=O)NC1CCCC1)N
Isomeric Smiles
c1(c(sc2c1CCC(C2)CC)N)C(=O)NC1CCCC1
Calculated Properties
JChem
Acid pKa
15.943966
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.486054
LogD (pH = 7.4)
4.4860573
Log P
4.4860573
Molar Refractivity
83.9823
Polarizability
31.59728
Polar Surface Area
55.12
Rotatable Bonds
3
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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