Molecule

ID:26719

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂OS
Molecular Mass
294.45544
Exact Mass
294.17658446
Charge
0
InChI
InChI=1S/C16H26N2OS/c1-9(2)18-15(19)13-11-7-6-10(16(3,4)5)8-12(11)20-14(13)17/h9-10H,6-8,17H2,1-5H3,(H,18,19)
InChIKey
BKXIKQLSJPQYOO-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)NC(C)C
Calculated Properties
JChem
Acid pKa
15.950594
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.4918027
LogD (pH = 7.4)
4.4918046
Log P
4.4918046
Molar Refractivity
85.7602
Polarizability
32.32148
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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