Molecule

ID:14901

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂OS
Molecular Mass
280.42886
Exact Mass
280.1609344
Charge
0
InChI
InChI=1S/C15H24N2OS/c1-19-15-5-3-14(4-6-15)13-16-7-2-8-17-9-11-18-12-10-17/h3-6,16H,2,7-13H2,1H3
InChIKey
LCWAYLXLLPLSCR-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)CNCCCN1CCOCC1
Isomeric Smiles
c1(ccc(cc1)SC)CNCCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8779719
LogD (pH = 7.4)
-0.33071744
Log P
2.0199156
Molar Refractivity
84.0239
Polarizability
32.974983
Polar Surface Area
24.5
Rotatable Bonds
7
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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