Molecule

ID:26597

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂OS
Molecular Mass
264.3864
Exact Mass
264.12963427
Charge
0
InChI
InChI=1S/C14H20N2OS/c15-13-12(10-7-3-4-8-11(10)18-13)14(17)16-9-5-1-2-6-9/h9H,1-8,15H2,(H,16,17)
InChIKey
QAGLYPZARQJAHK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCCC2)NC1CCCC1
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)NC1CCCC1
Calculated Properties
JChem
Acid pKa
15.950919
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7544663
LogD (pH = 7.4)
3.7544696
Log P
3.7544696
Molar Refractivity
74.8327
Polarizability
27.922956
Polar Surface Area
55.12
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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