Molecule

ID:26625

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂OS
Molecular Mass
264.3864
Exact Mass
264.12963427
Charge
0
InChI
InChI=1S/C14H20N2OS/c15-13-12(10-6-2-3-7-11(10)18-13)14(17)16-8-4-1-5-9-16/h1-9,15H2
InChIKey
NSQDUMFSCVOMPZ-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)N1CCCCC1
Calculated Properties
JChem
Acid pKa
19.949203
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.47381
LogD (pH = 7.4)
3.47381
Log P
3.47381
Molar Refractivity
75.4582
Polarizability
27.922998
Polar Surface Area
46.33
Rotatable Bonds
1
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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