Molecule

ID:26605

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂OS
Molecular Mass
264.3864
Exact Mass
264.12963427
Charge
0
InChI
InChI=1S/C14H20N2OS/c1-2-8-3-6-10-11(7-8)18-13(15)12(10)14(17)16-9-4-5-9/h8-9H,2-7,15H2,1H3,(H,16,17)
InChIKey
AXFSSFJVDOIFRQ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCc2c(C1)sc(c2C(=O)NC1CC1)N
Isomeric Smiles
c1(c(sc2c1CCC(C2)CC)N)C(=O)NC1CC1
Calculated Properties
JChem
Acid pKa
15.943939
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.596918
LogD (pH = 7.4)
3.59692
Log P
3.59692
Molar Refractivity
74.7803
Polarizability
27.922945
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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