Molecule

ID:14903

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂S
Molecular Mass
224.3656
Exact Mass
224.13471965
Charge
0
InChI
InChI=1S/C12H20N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKey
UVGPYRXJNKLVGO-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1cccs1
Isomeric Smiles
C1(N(CCC1)CC)CNCc1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9743958
LogD (pH = 7.4)
0.35604224
Log P
2.2854931
Molar Refractivity
66.1748
Polarizability
26.03795
Polar Surface Area
15.27
Rotatable Bonds
5
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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