Molecule

ID:117178

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂OS
Molecular Mass
216.3436
Exact Mass
216.12963427
Charge
0
InChI
InChI=1S/C10H20N2OS/c1-2-11-10(9-14-7-1)8-12-3-5-13-6-4-12/h10-11H,1-9H2
InChIKey
IWHBWTZKAYYYDW-UHFFFAOYSA-N
Canonic Smiles
C1CCNC(CS1)CN1CCOCC1
Isomeric Smiles
N1(CC2NCCCSC2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0333376
LogD (pH = 7.4)
-2.002567
Log P
0.24405864
Molar Refractivity
61.5287
Polarizability
24.497076
Polar Surface Area
24.5
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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