Molecule

ID:26627

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂OS
Molecular Mass
292.43956
Exact Mass
292.1609344
Charge
0
InChI
InChI=1S/C16H24N2OS/c1-2-11-6-7-12-13(10-11)20-15(17)14(12)16(19)18-8-4-3-5-9-18/h11H,2-10,17H2,1H3
InChIKey
UPLYFPWQAFJFEP-UHFFFAOYSA-N
Canonic Smiles
CCC1CCc2c(C1)sc(c2C(=O)N1CCCCC1)N
Isomeric Smiles
c1(c(sc2c1CCC(C2)CC)N)C(=O)N1CCCCC1
Calculated Properties
JChem
Acid pKa
19.92183
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2053957
LogD (pH = 7.4)
4.2053976
Log P
4.2053976
Molar Refractivity
84.6078
Polarizability
31.597324
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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