Molecule

ID:26516

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃OS
Molecular Mass
305.43832
Exact Mass
305.15618337
Charge
0
InChI
InChI=1S/C16H23N3OS/c1-5-16(3,4)10-6-7-11-12(8-10)21-14-13(11)15(20)19(17)9(2)18-14/h10H,5-8,17H2,1-4H3
InChIKey
SKRILKPPJGEAKT-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)sc1c2c(=O)n(c(n1)C)N)(C)C
Isomeric Smiles
c12c(nc(n(c1=O)N)C)sc1c2CCC(C1)C(CC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7704217
LogD (pH = 7.4)
3.7713077
Log P
3.771319
Molar Refractivity
88.3343
Polarizability
32.617138
Polar Surface Area
58.69
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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