Molecule
ID:26311
General Information
Molecular Formula
C₁₁H₁₆N₂OS
Molecular Mass
224.32254
Exact Mass
224.09833414
Charge
0
InChI
InChI=1S/C11H16N2OS/c12-10(14)9-7-5-3-1-2-4-6-8(7)15-11(9)13/h1-6,13H2,(H2,12,14)
InChIKey
XZCZLVCNYYVFKH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(N)sc2c1CCCCCC2
Isomeric Smiles
c1(c(sc2c1CCCCCC2)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.380866
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0652287
LogD (pH = 7.4)
3.065229
Log P
3.065229
Molar Refractivity
62.7248
Polarizability
23.137623
Polar Surface Area
69.11
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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